Sugi Predict

Sugi Predict / Compounds / SCHEMBL827646

SCHEMBL827646

SCHEMBL827646

Cc1ccc(C2CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.52
▸ CCR5 P51681 1/20 0.52
▸ CCR8 P51685 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ OPRM1 P35372 1/20 0.46
▸ OPRL1 P41146 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ NOTUM Q6P988 2/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ PDE10A Q9Y233 4/20 0.42
▸ KDM5A P29375 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL17820158 0.98 CCR1 (0.50) CCR1CCR5CCR8HDAC6OPRM1
SCHEMBL15448338 0.92 CCR1 (0.45) CCR1CCR5CCR8HDAC6OPRM1
SCHEMBL20624050 0.92 CCR1 (0.45) CCR1CCR5CCR8HDAC6OPRM1
SCHEMBL23331881 0.91 CCR1 (0.48) CCR1CCR5CCR8HDAC6OPRM1
SCHEMBL12093753 0.91 CCR1 (0.48) CCR1CCR5CCR8HDAC6OPRM1
SCHEMBL18971112 0.90 CCR1 (0.43) CCR1CCR5CCR8HDAC6OPRM1
SCHEMBL15122188 0.90 PDE10A (0.48) CCR1CCR5CCR8HDAC6OPRM1
SCHEMBL6919321 0.86 MAPK1 (0.46) CCR1CCR5CCR8HDAC6OPRM1
SCHEMBL14186232 0.86 DRD4 (0.46) CCR1CCR5CCR8HDAC6OPRM1
SCHEMBL103848 0.86 CCR1 (0.43) CCR1CCR5CCR8HDAC6OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795563-B1 INDOLINE ANALOGS AND USES THEREOF ONCTERNAL THERAPEUTICS INC (US) 2024-07-17 — — EP disclosed
WO-2023192178-A1 PROCESS FOR PREPARING ((1S,2S)-2-(5-METHYLPYRIDIN-2-YL)CYCLOPROPYL)-METHANOL MERCK SHARP & DOHME LLC (US) 2023-10-05 — — WO disclosed
WO-2023184486-A1 PROCESS FOR PREPARING ( (1S, 2S) -2- (5-METHYLPYRIDIN-2-YL) CYCLOPROPYL) -METHANOL MERCK SHARP & DOHME LLC (US) 2023-10-05 — — WO disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 — — US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 — — US disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 — — WO disclosed
WO-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 — — WO disclosed
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 — — WO disclosed
EP-3738961-B1 HETEROCYCLIC COMPOUND AS CSF-1R INHIBITOR AND USE THEREOF MEDSHINE DISCOVERY INC (CN) 2022-08-31 — — EP disclosed
US-11384065-B2 Heterocyclic compound as CSF-1R inhibitor and use thereof MEDSHINE DISCOVERY INC. (CN) 2022-07-12 — — US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 — — US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 — — WO disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 — — WO disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 — — WO disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 — — US disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 — — 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 (6 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 CCR1 638/4885CCR5 325/4885CCR8 295/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CCR1 3698/4885CCR5 2214/4885CCR8 4068/4885
US-11384065-B2 Heterocyclic compound as CSF-1R inhibitor and use thereof CSF1R, CSF3R, IL1RN CCR1 33/4885CCR5 28/4885CCR8 93/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 CCR1 692/4885CCR5 1684/4885CCR8 2412/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A CCR1 1086/4885CCR5 840/4885CCR8 1883/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 CCR1 1940/4885CCR5 498/4885CCR8 2674/4885

“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.