SCHEMBL427622

SCHEMBL427622

CCCc1cccc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRM5 P41594 1/20 0.44
NOS2 P35228 3/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.40
MBOAT4 Q96T53 1/20 0.40
HSD17B3 P37058 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MEN1 O00255 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL30201993 0.88 CCR1 (0.52) KCNH2CCR1CCR8SMN1; SMN2GRM5
SCHEMBL24916774 0.88 CCR1 (0.52) KCNH2CCR1CCR8SMN1; SMN2GRM5
SCHEMBL14224576 0.88 CCR1 (0.61) KCNH2CCR1CCR8SMN1; SMN2GRM5
SCHEMBL681574 0.87 KCNH2 (0.64) KCNH2CCR1CCR8SMN1; SMN2GRM5
SCHEMBL10144469 0.86 KCNH2 (0.54) KCNH2CCR1CCR8SMN1; SMN2GRM5
SCHEMBL2522650 0.85 KCNH2 (0.67) KCNH2NOS2NOS3NOS1CTSS
SCHEMBL10373980 0.85 KCNH2 (0.74) KCNH2CCR1CCR8SMN1; SMN2NOS2
SCHEMBL16228298 0.84 KCNH2 (0.78) KCNH2CCR1CCR8SMN1; SMN2
SCHEMBL16227752 0.84 KCNH2 (0.78) KCNH2CCR1CCR8SMN1; SMN2
SCHEMBL22299298 0.84 KCNH2 (0.78) KCNH2CCR1CCR8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225162-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-11-23 WO disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed
US-11246949-B2 Imaging contrast agents and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-02-15 US disclosed
WO-2020198379-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. (US) 2020-10-01 WO disclosed
WO-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 WO disclosed
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 EP disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 EP disclosed
US-9809590-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-07 US disclosed
US-4927913-A Cured product from thermosettable prepolymer prepared from heterocyclic materials having alkyl substituents, mono- or dianhydrides, ethylenically unsaturated materials and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1990-05-22 US disclosed
US-4847355-A Thermosettable prepolymer prepared from heterocyclic material having alkyl substituents, mono- or dianhydride, ethylenically unsaturated material and a hydroxide, carbonate of bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
US-4812531-A Thermosettable polymers or prepolymers prepared from heterocyclic materials having alkyl substituents, mono- or dianhydrides, ethylenically unsaturated materials and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1989-03-14 US disclosed
US-4752636-A Thermosettable polymer or prepolymer prepared from heterocyclic materials containing nitrogen atoms, carboxylic acid mono- or dianhydrides and a polymerizable material with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1988-06-21 US disclosed
US-4668766-A Preparation of thermosettable polymer or prepolymer from heterocyclic material containing nitrogen atoms, carboxylic acid mono- or dianhydride and a polymerizable material with ethylenically unsaturated group THE DOW CHEMICAL COMPANY (US) 1987-05-26 US disclosed
EP-0220204-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1987-05-06 EP disclosed
US-4654414-A Thermosettable polymer or prepolymer prepared from heterocyclic material having alkyl substituent, mono- or dianhydride, ethylenically unsaturated material and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1987-03-31 US disclosed
WO-1986006386-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1986-11-06 WO disclosed
US-4613663-A Thermoplastic and thermosettable products prepared by reacting nitrogen-containing heterocyclic compounds with aromatic aldehydes THE DOW CHEMICAL COMPANY (US) 1986-09-23 US disclosed
US-4575542-A Thermosettable polystyrylpyridine prepolymer terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-03-11 US 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 (2 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 KCNH2 3193/4885CCR1 1830/4885CCR8 1522/4885
US-11246949-B2 Imaging contrast agents and uses thereof SLC40A1, SLC39A14, SLC39A3 KCNH2 1572/4885CCR1 314/4885CCR8 204/4885

“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.