SCHEMBL725669

SCHEMBL725669

COc1cc(N)c(Cl)cc1C(=O)NCC1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 1.00
DRD2 P14416 3/20 0.61
DRD4 P21917 2/20 0.61
DRD3 P35462 2/20 0.61
HTR3A P46098 2/20 0.60
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60

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 SCHEMBL726793 0.99 HTR4 (0.98) HTR4DRD2DRD4DRD3HTR3A
Hydrochloric Acid SCHEMBL7035321 0.99 HTR4 (0.98) HTR4DRD2DRD4DRD3HTR3A
Hydrochloric Acid SCHEMBL9021660 0.92 HTR4 (0.86) HTR4DRD2DRD4DRD3HTR3A
SCHEMBL8274637 0.91 HTR4 (0.83) HTR4DRD2DRD4DRD3
SCHEMBL19397170 0.88 HTR4 (0.79) HTR4DRD2DRD4DRD3HTR3A
Hydrochloric Acid SCHEMBL7388264 0.84 HTR4 (0.73) HTR4DRD2DRD4DRD3HTR3A
SCHEMBL14827434 0.84 HTR4 (0.72) HTR4DRD2DRD4DRD3HTR3A
SCHEMBL16403692 0.84 HTR4 (0.72) HTR4DRD2DRD4DRD3HTR3A
SCHEMBL14827422 0.84 HTR4 (0.75) HTR4DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7388262 0.83 HTR4 (0.71) HTR4DRD2DRD4DRD3HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2019-03-28 US disclosed
US-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2019-03-28 US disclosed
US-10144709-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2018-12-04 US disclosed
US-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2017-09-28 US disclosed
US-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2017-09-28 US disclosed
US-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2017-09-28 US disclosed
US-9676718-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-06-13 US disclosed
US-9676718-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-06-13 US disclosed
US-9676718-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-06-13 US disclosed
US-9593102-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-03-14 US disclosed
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
WO-2005004865-A1 USE OF 5-HT4(A)-SEROTONIN RECEPTOR AGONISTS GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN (DE) 2005-01-20 WO disclosed
US-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists GONG LEYI (US) 2004-12-30 US disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6683074-B1 PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES SYNTEX (U.S.A.) LLC 2004-01-27 US disclosed
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists ROCHE BIOSCIENCE 2003-08-14 US disclosed
US-6339087-B1 FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS SYNTEX (U.S.A.) LLC 2002-01-15 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed
EP-0903349-A2 CCR-3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1999-03-24 EP disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP 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 (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-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 HTR4 505/4885DRD2 768/4885DRD4 1752/4885
US-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885DRD4 317/4885
US-10144709-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885DRD4 317/4885
US-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885DRD4 317/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 HTR4 505/4885DRD2 768/4885DRD4 1752/4885

“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.