SCHEMBL4182196

SCHEMBL4182196

Clc1ccc2nc(N3CCNCC3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.80
HTR3E A5X5Y0 4/20 0.80
HTR3B O95264 4/20 0.80
HTR3D Q70Z44 4/20 0.80
HTR3C Q8WXA8 4/20 0.80
HRH4 Q9H3N8 1/20 0.68
HRH3 Q9Y5N1 2/20 0.63
ALDH1A1 P00352 4/20 0.62
CYP3A4 P08684 3/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP1A2 P05177 2/20 0.62
SLC6A4 P31645 2/20 0.62
PMP22 Q01453 2/20 0.62
HSD17B10 Q99714 2/20 0.62
USP2 O75604 1/20 0.62
ADRB1 P08588 1/20 0.62
HTR1A P08908 1/20 0.62
HTR2C P28335 1/20 0.62
MAPK1 P28482 1/20 0.62
HTR7 P34969 1/20 0.62

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 SCHEMBL4059444 0.98 HTR3A (0.78) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6770662 0.94 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2914095 0.89 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL16695094 0.85 HRH4 (0.74) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5780238 0.84 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29293410 0.84 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5780233 0.83 HTR3A (0.70) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6364907 0.81 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL21154479 0.81 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5746441 0.81 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165006-A1 Quinoline derivatives, their preparation and pharmaceutical compositions comprising the same HYUNDAI PHARM. IND. CO., LTD. (KR) 2005-07-28 US claimed
WO-2003082286-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHEMON INC. (KR) 2003-10-09 WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-3428162-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
EP-1537121-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-08 EP disclosed
US-6821967-B2 AMINES SUCH AS 9-(4-(4-(BENZOTHIAZOL-2-YL)-PIPERAZIN-1-YL)-BUTYL)-9H-FLUORENE-9-CARBOXYLIC ACID (2,2,2-TRIFLUOROETHYL) AMIDE, USED AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN ANTAGONISTS, TO PREVENT ATHEROSCLEROSIS OR HYPERLIPEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-11-23 US disclosed
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-22 US disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO disclosed
WO-2004024731-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2003082286-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHEMON INC. (KR) 2003-10-09 WO disclosed
US-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 US disclosed
EP-1255736-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-11-13 EP disclosed
WO-2001047898-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO 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 (4 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A HTR3A 2835/4885HTR3E 3268/4885HTR3B 3245/4885
US-20050165006-A1 Quinoline derivatives, their preparation and pharmaceutical compositions comprising the same SLC18A2, SLC6A4, SLC6A2 HTR3A 35/4885HTR3E 49/4885HTR3B 7/4885
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CYP19A1, CRH HTR3A 75/4885HTR3E 135/4885HTR3B 53/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 HTR3A 1946/4885HTR3E 1383/4885HTR3B 2217/4885

“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.