SCHEMBL187716

SCHEMBL187716

OC1(c2ccc(Cl)cc2)CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 1.00
MAPKAPK2 P49137 1/20 0.49
CCR3 P51677 2/20 0.47
OPRL1 P41146 6/20 0.46
OPRM1 P35372 6/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
KMT2A Q03164 3/20 0.45
SLC18A3 Q16572 1/20 0.45
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 0.44
MEN1 O00255 2/20 0.43
ADRA1A P35348 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40

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 SCHEMBL11625365 0.98 DRD2 (0.96) DRD2MAPKAPK2CCR3OPRL1OPRM1
Hydrochloric Acid SCHEMBL2790980 0.96 DRD2 (0.92) DRD2MAPKAPK2CCR3OPRL1OPRM1
SCHEMBL654604 0.93 DRD2 (0.86) DRD2MAPKAPK2CCR3OPRL1OPRM1
SCHEMBL653842 0.88 DRD2 (0.79) DRD2MAPKAPK2CCR3OPRL1OPRM1
Hydrochloric Acid SCHEMBL29087281 0.86 DRD2 (0.76) DRD2MAPKAPK2CCR3OPRL1OPRM1
SCHEMBL29090112 0.84 DRD2 (0.72) DRD2CCR3OPRL1OPRM1OPRD1
SCHEMBL22022197 0.83 DRD2 (0.70) DRD2CCR3OPRL1OPRM1OPRD1
SCHEMBL652586 0.81 DRD2 (0.68) DRD2MAPKAPK2OPRM1OPRD1KMT2A
Hydrochloric Acid SCHEMBL6504476 0.81 DRD2 (0.68) DRD2CCR3OPRL1OPRM1OPRD1
SCHEMBL16249345 0.80 DRD2 (0.67) DRD2CCR3OPRL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118297326-A Multi-time scale optimal scheduling method and device for comprehensive energy system of transformer substation 山东智源电力设计咨询有限公司 2024-07-05 CN claimed
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
CN-116143686-A Preparation method of haloperidol impurity D 深圳市江川医药技术有限公司 2023-05-23 CN claimed
CN-113122050-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN 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-10253006-B2 Assay for the detection of the phenylpiperazine family RANDOX LABORATORIES LIMITED (GB) 2019-04-09 US claimed
US-20160229824-A1 ASSAY FOR THE DETECTION OF THE PHENYLPIPERAZINE FAMILY NORTHERN BANK LIMITED (IE) 2016-08-11 US claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO claimed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 US claimed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP claimed
EP-1077973-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS GYOGYSZERGYAR RT. (HU) 2001-02-28 EP claimed
WO-2001005401-A1 MELANOCORTIN RECEPTOR-3 LIGANDS TO TREAT SEXUAL DYSFUNCTION TREGA BIOSCIENCES, INC. (US) 2001-01-25 WO claimed
WO-1999058527-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 1999-11-18 WO claimed
US-4284638-A Pharmaceutical compositions with central depressant and antipsychotic activity having a butyrophenone derivative which is substituted in the 4-position and a C-(2-benzofuranyl)-piperidine or C-(2-benzofuranyl)-tetrahydro-pyridine CIBA-GEIGY CORPORATION (US) 1981-08-18 US claimed
US-4111703-A HEAT-SENSITIVE COATING COMPOSITION WITH 4-AROMATIC AND HYDROXY SUBSTITUTED PIPERIDINE DERIVATIVE AND CYCLIC POLYKETO COMPOUND GRAPHIC CONTROLS CORPORATION (US) 1978-09-05 US claimed
US-4086234-A Process for the preparation of tertiary amines G. D. SEARLE & CO. (US) 1978-04-25 US claimed
US-4022791-A ANALGESICS, TRANQUILIZERS PFIZER INC. (US) 1977-05-10 US 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 (3 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 DRD2 4715/4885MAPKAPK2 3654/4885CCR3 1000/4885
US-10253006-B2 Assay for the detection of the phenylpiperazine family METAP2, DCPS, NPEPPS DRD2 690/4885MAPKAPK2 694/4885CCR3 2326/4885
US-20160229824-A1 ASSAY FOR THE DETECTION OF THE PHENYLPIPERAZINE FAMILY METAP2, DCPS, NPEPPS DRD2 690/4885MAPKAPK2 694/4885CCR3 2326/4885

“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.