SCHEMBL4174478

SCHEMBL4174478

CC(C)c1cccc(C2(N)CN(C(=O)OCc3ccccc3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NOS2 P35228 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
BCL9 O00512 3/20 0.41
CTNNB1 P35222 3/20 0.41
RORC P51449 2/20 0.40
ENPP2 Q13822 2/20 0.40
ATXN2 Q99700 2/20 0.40
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
HTR2C P28335 2/20 0.40

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
SCHEMBL4168737 0.92 NOS2 (0.45) PLAUPLATSMN1; SMN2CYP2C19MEN1
SCHEMBL4164137 0.89 NOS2 (0.49) PLAUPLATSMN1; SMN2CYP2C19MEN1
SCHEMBL19331055 0.84 MEN1 (0.54) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL8240266 0.82 NOS2 (0.52) PLAUPLATSMN1; SMN2CYP2C19MEN1
SCHEMBL4159590 0.81 NOS2 (0.58) PLAUPLATSMN1; SMN2CYP2C19MEN1
SCHEMBL29087302 0.78 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL29087346 0.76 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL13907434 0.76 NOS2 (0.42) PLAUPLATSMN1; SMN2CYP2C19MEN1
SCHEMBL29087290 0.76 PTGDR2 (0.45) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL19766668 0.75 MEN1 (0.55) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
EP-1957448-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS Pfizer Products Inc. (US) 2008-08-20 EP disclosed
WO-2007060526-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-05-31 WO disclosed
WO-2007060526-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-05-31 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 (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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS BACE2, BACE1, PMP22 PLAU 2974/4885PLAT 3043/4885SMN1; SMN2 53/4885

“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.