SCHEMBL318467

SCHEMBL318467

O=C(CCCCl)c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.77
RAB9A P51151 2/20 0.77
HTR7 P34969 1/20 0.67
PTPN1 P18031 1/20 0.53
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR1A P08908 3/20 0.49
DRD3 P35462 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD1 P21728 1/20 0.49
ADRA1A P35348 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL21001678 0.96 NPC1 (0.71) NPC1RAB9AHTR7PTPN1TSHR
Ethylene SCHEMBL7326114 0.96 NPC1 (0.71) NPC1RAB9AHTR7PTPN1TSHR
Ethylene Glycol SCHEMBL11238423 0.94 NPC1 (0.69) NPC1RAB9AHTR7PTPN1TSHR
Potassium Iodide SCHEMBL21001677 0.94 NPC1 (0.69) NPC1RAB9AHTR7PTPN1TSHR
SCHEMBL5663807 0.94 NPC1 (0.74) NPC1RAB9AHTR7PTPN1TSHR
SCHEMBL5660071 0.92 NPC1 (0.71) NPC1RAB9AHTR7PTPN1TSHR
SCHEMBL5660315 0.92 NPC1 (0.71) NPC1RAB9AHTR7PTPN1TSHR
SCHEMBL6614159 0.89 NPC1 (0.67) NPC1RAB9AHTR7PTPN1TSHR
SCHEMBL117311 0.88 NPC1 (0.69) NPC1RAB9AHTR7PTPN1TSHR
SCHEMBL9680520 0.87 NPC1 (0.91) NPC1RAB9AHTR7PTPN1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 576 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118125969-A Haloperidol with excellent biological performance and preparation method and application thereof 湖南洞庭药业股份有限公司 2024-06-04 CN claimed
US-11655251-B2 Method for the production of lumateperone and its salts EGIS GYOGYSZERGYAR ZRT. (HU) 2023-05-23 US claimed
US-20220332716-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2022-10-20 US claimed
US-20220024924-A1 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2022-01-27 US claimed
EP-3887374-A2 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF Teva Pharmaceuticals International GmbH (CH) 2021-10-06 EP claimed
CN-112538042-A Preparation method of haloperidol 湖南洞庭药业股份有限公司 2021-03-23 CN claimed
US-20210070755-A1 METHOD FOR THE PRODUCTION OF LUMATEPERONE AND ITS SALTS EGIS GYOGYSZERGYAR ZRT. (HU) 2021-03-11 US claimed
EP-3717484-A1 METHOD FOR THE MANUFACTURE OF LUMATEPERONE AND ITS SALTS Egis Gyógyszergyár Zrt. (HU) 2020-10-07 EP claimed
EP-3663294-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS Intra-Cellular Therapies, Inc. (US) 2020-06-10 EP claimed
WO-2020112941-A2 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF TEVA CZECH INDUSTRIES S.R.O (CZ) 2020-06-04 WO claimed
US-10597395-B2 Preparation of certain substituted 1-(4-fluorophenyl)-4-(2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-YL)butan-1-ones and pharmaceutically acceptable salts thereof INTRA-CELLULAR THERAPIES, INC. (US) 2020-03-24 US claimed
US-20200087305-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2020-03-19 US claimed
EP-2134710-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA CELLULAR THERAPIES INC (US) 2020-02-12 EP claimed
US-20190218219-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2019-07-18 US claimed
WO-2019102240-A1 METHOD FOR THE MANUFACTURE OF LUMATEPERONE AND ITS SALTS EGIS GYÓGYSZERGYÁR ZRT. (HU) 2019-05-31 WO claimed
US-9751883-B2 Preparation of certain [((6BR,10AS)-2,3,6B,7,8,9,10, 10A-octahydro-1H-pyrido[3′,4′:4,5]pyrrolo [1,2,3-de]quinoxalines and pharmaceutically acceptable salts thereof INTRA-CELLULAR THERAPIES, INC. (US) 2017-09-05 US claimed
US-9315504-B2 Preparation of 4-((6BR,10AS)-3-methyl-2,3,6B,9,10, 10A-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo [1,2,3-de]quinoxalin-8-(7H)-yl)-1-(4-fluorophenyl)-1-butanone or a pharmaceutically acceptable salt thereof INTRA-CELLULAR THERAPIES, INC. (US) 2016-04-19 US claimed
US-20140364609-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. 2014-12-11 US claimed
JP-10136993-A None JP disclosed
US-3890439-A Imidazolidinone derivatives in the treatment of emesis and psychosomatic disturbances CIBA GEIGY CORP 1975-06-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220332716-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 NPC1 3361/4885RAB9A 2668/4885HTR7 538/4885
US-20190218219-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS CYCS, HCCS, IDH3B NPC1 3036/4885RAB9A 2561/4885HTR7 633/4885
US-20210070755-A1 METHOD FOR THE PRODUCTION OF LUMATEPERONE AND ITS SALTS CYP2S1, LSS, CYP26B1 NPC1 1550/4885RAB9A 2546/4885HTR7 408/4885
US-11655251-B2 Method for the production of lumateperone and its salts CYP2S1, LSS, CYP26B1 NPC1 1558/4885RAB9A 2591/4885HTR7 398/4885
US-20220024924-A1 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF RALA, TACR1, SRM NPC1 3328/4885RAB9A 205/4885HTR7 19/4885
US-10597395-B2 Preparation of certain substituted 1-(4-fluorophenyl)-4-(2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-YL)butan-1-ones and pharmaceutically acceptable salts thereof CYP3A7, CYP4B1, CYP1B1 NPC1 1832/4885RAB9A 397/4885HTR7 117/4885
US-20140364609-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 NPC1 3352/4885RAB9A 2645/4885HTR7 633/4885
US-20200087305-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 NPC1 3352/4885RAB9A 2645/4885HTR7 633/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.