SCHEMBL3830620

SCHEMBL3830620

COc1ncccc1CC1CC=CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.46
MAOB P27338 1/20 0.46
MAOA P21397 2/20 0.43
SLC13A5 Q86YT5 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2C19 P33261 1/20 0.37
APLNR P35414 1/20 0.37
CYP2C9 P11712 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BTK Q06187 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL23886375 0.87 KDM1A (0.48) KDM1AMAOBMAOASLC13A5CHRNB4
SCHEMBL23868401 0.78 EED (0.44) KDM1AMAOBMAOASLC13A5CHRNB4
SCHEMBL2960548 0.75 SLC13A5 (0.49) KDM1AMAOBMAOASLC13A5CHRNB4
Hydrochloric Acid SCHEMBL5900883 0.74 SLC13A5 (0.48) KDM1AMAOBMAOASLC13A5CHRNB4
SCHEMBL91503 0.73 SLC13A5 (0.50) KDM1AMAOBMAOASLC13A5HTR2A
SCHEMBL129593 0.72 KDM1A (0.46) KDM1AMAOBMAOASLC13A5CHRNB4
SCHEMBL6588356 0.72 SLC13A5 (0.49) KDM1AMAOBMAOASLC13A5CHRNB4
SCHEMBL18291875 0.72 SLC13A5 (0.49) KDM1AMAOBMAOASLC13A5CHRNB4
SCHEMBL18440 0.72 MEN1 (0.60) KDM1AMAOBMAOASLC13A5HTR2A
SCHEMBL19465 0.72 HTR2A (0.46) KDM1AMAOBMAOASLC13A5CHRNB4

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 10 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-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-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 KDM1A 2099/4885MAOB 258/4885MAOA 237/4885
US-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 KDM1A 641/4885MAOB 287/4885MAOA 284/4885

“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.