SCHEMBL15099412

SCHEMBL15099412

CN1CCC2(CC1)C(=O)NC2c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.47
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A9 P48067 8/20 0.39
CHRM1 P11229 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
KDM1A O60341 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TSHR P16473 1/20 0.38
OPRM1 P35372 5/20 0.38
SLC6A5 Q9Y345 3/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL16367030 0.84 AGTR2 (0.47) AGTR2MEN1MAPTKMT2ASLC6A9
SCHEMBL15094369 0.82 AGTR2 (0.51) AGTR2MEN1MAPTKMT2ASLC6A9
SCHEMBL14263430 0.80 AGTR2 (0.49) AGTR2MEN1MAPTKMT2ASLC6A9
SCHEMBL18746129 0.79 MAPT (0.42) AGTR2MEN1MAPTKMT2AKDM4E
SCHEMBL9965964 0.76 SLC6A9 (0.64) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL14058354 0.75 AGTR2 (0.43) AGTR2MEN1KMT2ASLC6A9CHRM1
SCHEMBL14463635 0.73 SIGMAR1 (0.36) KDM4EGLAKDM1ASIGMAR1HTR2A
SCHEMBL7358825 0.72 MAPT (0.49) MEN1MAPTKMT2AKDM4EKDM1A
SCHEMBL12932720 0.71 CHRM1 (0.41) SLC6A9CHRM1KDM1ASIGMAR1HTR2A
SCHEMBL18890785 0.71 SIGMAR1 (0.43) SIGMAR1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
WO-2013102242-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-07-11 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-20140378430-A1 Heterocyclic Compounds and Methods of Their Use AGTR2, AGTR1, BDKRB2 AGTR2 1/4885MEN1 3729/4885MAPT 3894/4885
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE AGTR2, AGTR1, BDKRB2 AGTR2 1/4885MEN1 3729/4885MAPT 3894/4885

“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.