SCHEMBL3835964

SCHEMBL3835964

OC1C2Cc3cccnc3C(C2)C1O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.36
KCNH2 Q12809 5/20 0.32
OPRD1 P41143 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
SCHEMBL29587352 0.72 HTR2A (0.36) OPRL1
SCHEMBL12206861 0.70 OPRL1 (0.37) OPRL1KCNH2OPRD1
SCHEMBL19043677 0.68 OPRL1 (0.40) OPRL1KCNH2OPRD1
SCHEMBL22275571 0.68 OPRL1 (0.33) OPRL1KCNH2
SCHEMBL20851235 0.68 OPRL1 (0.33) OPRL1KCNH2
SCHEMBL21555729 0.67 ANPEP (0.40) OPRL1KCNH2OPRD1
Hydrochloric Acid SCHEMBL17768575 0.66 ANPEP (0.42) OPRL1KCNH2OPRD1
SCHEMBL12801168 0.66 OPRL1 (0.43) OPRL1KCNH2
SCHEMBL2878241 0.65 OPRL1 (0.40) OPRL1KCNH2
SCHEMBL17529942 0.65 OPRL1 (0.32) OPRL1OPRD1

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
EP-1648893-B1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-09-23 EP disclosed
EP-1648893-B1 NICOTINE ADDICTION REDUCING HETEROARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-09-23 EP disclosed
US-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-7456177-B2 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy PFIZER INC. (US) 2008-11-25 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 US disclosed
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
US-20050020830-A1 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy PFIZER INC 2005-01-27 US disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 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 (2 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-20050020830-A1 Heteroaryl fused azapolycyclic compounds which bind to neuronal nicotinic acetylcholine specific receptor sites, and which are useful in modulating cholinergic function, for for reducing nicotine addiction or aiding in the cessation or lessening of tobacco use in a mammal, therapy CHRNA2, CHRNA3, CHRNB2 OPRL1 31/4885KCNH2 249/4885OPRD1 36/4885
US-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 OPRL1 1295/4885KCNH2 1124/4885OPRD1 237/4885

“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.