SCHEMBL13178567

SCHEMBL13178567

CCc1nccc2cc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.43
GRM5 P41594 3/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
AXL P30530 1/20 0.34
NUDT1 P36639 1/20 0.34
AHR P35869 1/20 0.34
BRD4 O60885 1/20 0.34
TAF1 P21675 1/20 0.34
BRPF1 P55201 1/20 0.34
CREBBP Q92793 1/20 0.34
CECR2 Q9BXF3 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
TNF P01375 1/20 0.32
RIPK1 Q13546 1/20 0.32
BCHE P06276 1/20 0.32
GRM4 Q14833 1/20 0.32
HTR1A P08908 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL23429684 0.80 GRM5 (0.35) RENGRM5AXLNUDT1AHR
SCHEMBL18238200 0.75 CCR8 (0.50) PDE3BPDE3AAXLNUDT1AHR
SCHEMBL1445573 0.75 HTR1D (0.43) PDE3BPDE3A
SCHEMBL18237616 0.74 GRM5 (0.38) GRM5AXLNUDT1AHRBRD4
SCHEMBL2633337 0.74 GRM5 (0.43) RENGRM5PDE3BPDE3AAXL
SCHEMBL18238492 0.73 PDE3B (0.57) PDE3BPDE3A
SCHEMBL20156792 0.72 MAPT (0.41) PDE3BPDE3AGRM4
SCHEMBL9942590 0.71 AHR (0.43) GRM5AXLNUDT1AHRBRD4
SCHEMBL23233865 0.71 GRM5 (0.41) GRM5AXLNUDT1AHRBRD4
SCHEMBL9330011 0.70 PDE3B (0.54) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US 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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 REN 1046/4885GRM5 4290/4885PDE3B 4711/4885

“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.