SCHEMBL20747804

SCHEMBL20747804

CCC(C)(C)c1ccc2c(c1)CCN2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 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
SCHEMBL8737631 0.90 MAPT (0.52) DRD2DRD4GAAALDH1A1MAPT
SCHEMBL10272904 0.87 SMN1; SMN2 (0.46) DRD2DRD4MAPTLMNASMN1; SMN2
SCHEMBL10100725 0.82 DRD2 (0.53) DRD2DRD4GAAALDH1A1MAPT
SCHEMBL24201682 0.79 DRD2 (0.50) DRD2DRD4GAAALDH1A1MAPT
SCHEMBL12673265 0.78 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2NPC1MAPK1
SCHEMBL12064448 0.78 KIF11 (0.52) MAPTLMNASMN1; SMN2NPC1MAPK1
SCHEMBL13267322 0.75 ASIC3 (0.49) DRD2
SCHEMBL4991137 0.75 PARP10 (0.56) DRD2DRD4GAAS1PR1PARP1
SCHEMBL19251116 0.75 PARP10 (0.64) LMNAKDM4ESMN1; SMN2NPC1MAPK1
SCHEMBL23034499 0.74 DRD2 (0.36) DRD2DRD4GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
US-20210284601-A1 ENVIRONMENTALLY-FRIENDLY HYDROAZIDATION OF OLEFINS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2021-09-16 US disclosed
US-10208011-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2019-02-19 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 (3 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-10208011-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 DRD2 2982/4885DRD4 3224/4885GAA 2956/4885
US-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 DRD2 3350/4885DRD4 3295/4885GAA 799/4885
US-20210284601-A1 ENVIRONMENTALLY-FRIENDLY HYDROAZIDATION OF OLEFINS HAO2, AHR, HMOX1 DRD2 703/4885DRD4 607/4885GAA 1736/4885

“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.