SCHEMBL3062205

SCHEMBL3062205

COCCOCc1ccc(Br)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
CASR P41180 1/20 0.32
S1PR3 Q99500 1/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
S1PR4 O95977 1/20 0.30

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
SCHEMBL3068194 0.78 TSHR (0.33) TSHRS1PR3
SCHEMBL3657628 0.76 S1PR4 (0.36) TSHRS1PR4
SCHEMBL30107989 0.75 HTR7 (0.38) TSHRMBOAT4
SCHEMBL7661242 0.74 KCNH2 (0.44) TSHRS1PR3NPC1ALDH1A1RAB9A
SCHEMBL15228340 0.72 TSHR (0.44) TSHRGRIN1GRIN2BCASRNPC1
SCHEMBL22242022 0.72 KCNH2 (0.41) TSHRNPC1ALDH1A1RAB9AS1PR4
SCHEMBL2147686 0.71 GBA1 (0.40) MBOAT4NPC1MAPTALDH1A1RAB9A
SCHEMBL28387454 0.71 KCNH2 (0.38) TSHR
SCHEMBL8030956 0.70 CCR1 (0.48) GRIN1GRIN2BMBOAT4NPC1ALDH1A1
SCHEMBL17885768 0.70 RAB9A (0.34) GRIN1GRIN2BMBOAT4NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267713-A1 4,4-DISUBSTITUTED PIPERIDINES HEROLD PETER 2010-10-21 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 (1 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-20100267713-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 TSHR 2279/4885GRIN1 832/4885GRIN2B 389/4885

“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.