SCHEMBL3566412

SCHEMBL3566412

O=c1ccccn1C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.42
HTR2A P28223 4/20 0.42
HTR2B P41595 3/20 0.42
KDM5A P29375 1/20 0.41
NSD3 Q9BZ95 1/20 0.41
HTR6 P50406 1/20 0.41
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38

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 SCHEMBL3557925 0.98 HTR2C (0.41) HTR2CHTR2AHTR2BKDM5ANSD3
SCHEMBL19513981 0.89 HTR6 (0.44) HTR2CHTR2AHTR2BKDM5AHTR6
Trifluoroacetic Acid SCHEMBL30124615 0.87 KDM5A (0.40) HTR2CHTR2AKDM5ANSD3HTR6
SCHEMBL27426 0.86 KDM5A (0.40) KDM5AKMT2A
SCHEMBL15797759 0.82 ALDH1A1 (0.40) KDM5ASLC18A3KMT2ASMN1; SMN2
SCHEMBL30558157 0.82 KDM5A (0.39) KDM5ASMN1; SMN2
SCHEMBL7190295 0.81 ALDH1A1 (0.42) SLC18A3KMT2ASMN1; SMN2
SCHEMBL27935614 0.81 ALDH1A1 (0.42) SLC18A3KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL30612389 0.81 KDM5A (0.38) KDM5ASMN1; SMN2
SCHEMBL31334733 0.80 HTR6 (0.46) HTR2CHTR2AHTR2BHTR6CAMK2D

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423708-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-04-22 CN disclosed
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 EP disclosed
WO-2022261204-A1 ANTICANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-15 WO disclosed
US-20220347187-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-11-03 US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
WO-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 HTR2C 855/4885HTR2A 1050/4885HTR2B 817/4885
US-20220347187-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 HTR2C 2608/4885HTR2A 3609/4885HTR2B 3324/4885
US-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 HTR2C 3495/4885HTR2A 4198/4885HTR2B 2664/4885
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 HTR2C 263/4885HTR2A 934/4885HTR2B 404/4885

“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.