SCHEMBL17827404

SCHEMBL17827404

CC(C)OCC1CN(C(C)C)CCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.58
ERBB2 P04626 2/20 0.37
EPHA2 P29317 2/20 0.37
KDR P35968 2/20 0.37
EPHB4 P54760 2/20 0.37
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDK1 Q15118 6/20 0.36
DRD4 P21917 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL27323714 1.00 HRH3 (0.58) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL26938033 0.85 HRH3 (0.43) HRH3CCR2KCNH2
SCHEMBL17212814 0.84 HRH3 (0.60) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL21166008 0.84 HRH3 (0.60) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL12110193 0.84 HRH3 (0.60) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL23442169 0.83 HRH3 (0.58) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL24477442 0.81 HRH3 (0.60) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL24730381 0.81 HRH3 (0.44) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL24731127 0.81 HRH3 (0.44) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL18084612 0.81 HRH3 (0.44) HRH3ERBB2EPHA2KDREPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023244918-A1 QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. (US) 2023-12-21 WO disclosed
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 WO disclosed
US-20220169660-A1 CYCLIC AMINO-PYRAZINECARBOXAMIDE COMPOUNDS AND USES THEREOF SILVERBACK THERAPEUTICS INC (US) 2022-06-02 US disclosed
US-10012650-B2 Assays for BTK inhibitors MERCK PATENT GMBH (DE) 2018-07-03 US disclosed
US-10012650-B2 Assays for BTK inhibitors MERCK PATENT GMBH (DE) 2018-07-03 US disclosed
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2016-12-08 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 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 (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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK HRH3 1043/4885ERBB2 50/4885EPHA2 1081/4885
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS BTK, SYK, LYN HRH3 2549/4885ERBB2 116/4885EPHA2 1473/4885
US-10012650-B2 Assays for BTK inhibitors BTK, SYK, LYN HRH3 2549/4885ERBB2 116/4885EPHA2 1473/4885
US-20160355521-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 HRH3 2263/4885ERBB2 364/4885EPHA2 3313/4885
US-20220169660-A1 CYCLIC AMINO-PYRAZINECARBOXAMIDE COMPOUNDS AND USES THEREOF TGFBR2, ACVR2A, SMAD2 HRH3 422/4885ERBB2 326/4885EPHA2 3137/4885

“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.