SCHEMBL6449575

SCHEMBL6449575

Cn1nccc1Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.41
KCNH2 Q12809 3/20 0.41
PGR P06401 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CNR2 P34972 1/20 0.39
PNMT P11086 1/20 0.38
IDO1 P14902 1/20 0.38
PDE2A O00408 1/20 0.38
ADCY10 Q96PN6 1/20 0.38
HTR6 P50406 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL6648592 0.84 HSP90AA1 (0.46) P2RX7KCNH2PGRALDH1A1KMT2A
SCHEMBL27542850 0.80 P2RX7 (0.60) P2RX7KCNH2ALDH1A1KMT2AMAPT
SCHEMBL6650106 0.78 P2RX7 (0.46) P2RX7KCNH2ALDH1A1KMT2AMAPT
SCHEMBL27164556 0.76 CYP19A1 (0.44) PGRALDH1A1KMT2AMAPT
SCHEMBL6651166 0.74 KDM4E (0.38) P2RX7KCNH2TAAR1ALDH1A1
SCHEMBL7757122 0.74 KDM5A (0.43) KCNH2ALDH1A1KMT2A
SCHEMBL10791418 0.71 MEN1 (0.41) KCNH2TAAR1ALDH1A1KMT2AMEN1
SCHEMBL6647704 0.71 P2RX7 (0.51) P2RX7KCNH2ALDH1A1KMT2AMEN1
SCHEMBL16598261 0.70 HRH3 (0.44) KCNH2TAAR1ALDH1A1MAPT
SCHEMBL20897192 0.70 SIGMAR1 (0.50) P2RX7ALDH1A1KMT2AMEN1MAPT

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-20050222135-A1 Active substance combination LABORATIONS DEL DR. ESTEVE S.A. (ES) 2005-10-06 US claimed

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-20050222135-A1 Active substance combination OPRM1, OPRK1, OPRL1 P2RX7 528/4885KCNH2 4317/4885PGR 870/4885

“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.