SCHEMBL294010

SCHEMBL294010

c1cc(N2CCNCC2)c2ccsc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.56
HTR2A P28223 7/20 0.56
HTR6 P50406 2/20 0.56
HTR5A P47898 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
NCF1 P14598 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR7 P34969 1/20 0.56
MTOR P42345 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SIGMAR1 Q99720 1/20 0.56

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
Hydrochloric Acid SCHEMBL23270836 0.98 KDM4E (0.57) HTR1AHTR2AHTR6HTR5AHTR3E
Hydrochloric Acid SCHEMBL31094011 0.98 KDM4E (0.57) HTR1AHTR2AHTR6HTR5AHTR3E
Hydrochloric Acid SCHEMBL29433207 0.98 KDM4E (0.57) HTR1AHTR2AHTR6HTR5AHTR3E
Hydrochloric Acid SCHEMBL294116 0.98 KDM4E (0.57) HTR1AHTR2AHTR6HTR5AHTR3E
SCHEMBL24719283 0.94 HTR1A (0.50) HTR1AHTR2AHTR6HTR5AHTR3E
SCHEMBL29433198 0.88 DRD2 (0.57) HTR1AHTR2AHTR2CDRD2
SCHEMBL14671117 0.88 DRD2 (0.57) HTR1AHTR2AHTR2CDRD2
SCHEMBL16449540 0.83 DRD2 (0.50) HTR1AHTR2AHTR2CDRD2
SCHEMBL23264479 0.82 HTR2A (0.46) HTR1AHTR2AHTR6HTR5AHTR3E
SCHEMBL19258305 0.82 HTR2C (0.42) HTR1AHTR2AHTR6HTR5AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580229-B Preparation method of bripiprazole 湖南一格制药有限公司 2024-12-27 CN claimed
CN-118580229-A Preparation method of bripiprazole 湖南一格制药有限公司 2024-09-03 CN claimed
CN-117946066-A Synthesis method of bripiprazole intermediate 江苏宇锐医药科技有限公司 2024-04-30 CN claimed
CN-115677655-B Synthesis method of epinastine intermediate 湖南省湘中制药有限公司 2023-12-08 CN claimed
CN-114166960-B Method for detecting substances related to epipiprazole 西安远大科创医药科技有限公司 2023-09-29 CN claimed
CN-115677655-A Synthesis method of brexpiprazole intermediate 湖南省湘中制药有限公司 2023-02-03 CN claimed
CN-114166960-A Detection method of brexpiprazole related substance 西安远大科创医药科技有限公司 2022-03-11 CN claimed
CN-112079812-B Prazoles antipsychotic key intermediate and electroreduction method thereof 浙江大学 2021-08-06 CN claimed
EP-3397636-B1 PROCESS FOR THE PREPARATION OF QUINOLINE-2(1H)-ONE DERIVATIVES HONOUR R&D (IN) 2021-08-04 EP claimed
US-10597386-B2 Process and intermediates for the preparation of benzo[b]thiophene compounds CRYSTAL PHARMA, S.A.U. (ES) 2020-03-24 US claimed
US-10358440-B2 Process for the preparation of brexpiprazole and intermediates thereof CADILA HEALTHCARE LIMITED (IN) 2019-07-23 US claimed
US-20190177309-A1 PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2019-06-13 US claimed
EP-3487854-A1 THE METHOD FOR MANUFACTURE OF BREXPIPRAZOLE, INTERMEDIATES USED IN THIS METHOD, AND THE METHOD FOR MANUFACTURE THEREOF Adamed Pharma S.A. (PL) 2019-05-29 EP claimed
WO-2019073481-A1 PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND ITS INTERMEDIATES INDOCO REMEDIES LIMITED (IN) 2019-04-18 WO claimed
US-20190040048-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS CURIA SPAIN, S.A.U. (ES) 2019-02-07 US claimed
EP-3356342-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS Crystal Pharma, S.A.U. (ES) 2018-08-08 EP claimed
WO-2018087775-A1 PROCESSES FOR THE PREPARATION OF 7-{4-[4-(1-BENZOTHIOPHEN-4-YL)PIPERAZIN-1-YL]BUTOXY}QUINOLIN-2(1H)-ONE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-17 WO claimed
WO-2018015354-A1 THE METHOD FOR MANUFACTURE OF BREXPIPRAZOLE, INTERMEDIATES USED IN THIS METHOD, AND THE METHOD FOR MANUFACTURE THEREOF ADAMED SP. Z O.O. (PL) 2018-01-25 WO claimed
US-20170320862-A1 PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2017-11-09 US claimed
EP-3150591-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS Crystal Pharma S.A.U (ES) 2017-04-05 EP claimed

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

For each of this compound's patents that has machine-readable text (5 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-20190177309-A1 PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND INTERMEDIATES THEREOF CYP4Z1, CYP4X1, CYP4B1 HTR1A 251/4885HTR2A 256/4885HTR6 739/4885
US-10358440-B2 Process for the preparation of brexpiprazole and intermediates thereof CYP4Z1, CYP4X1, CYP4B1 HTR1A 251/4885HTR2A 256/4885HTR6 739/4885
US-20170320862-A1 PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND INTERMEDIATES THEREOF CYP4Z1, CYP4X1, CYP4B1 HTR1A 251/4885HTR2A 256/4885HTR6 739/4885
US-20190040048-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZO[B]THIOPHENE COMPOUNDS CYP4X1, CYP2B6, CYP2C19 HTR1A 145/4885HTR2A 216/4885HTR6 126/4885
US-10597386-B2 Process and intermediates for the preparation of benzo[b]thiophene compounds CYP4X1, CYP2B6, CYP2C19 HTR1A 145/4885HTR2A 216/4885HTR6 126/4885

“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.