SCHEMBL12121981

SCHEMBL12121981

CN[C@H](C)C(=O)Nc1ccc(C2=CCCCC2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.32
P2RX3 P56373 4/20 0.31
CSF1R P07333 2/20 0.31
XIAP P98170 1/20 0.31
BIRC3 Q13489 1/20 0.31
CNR2 P34972 4/20 0.30
PTGER4 P35408 1/20 0.30
CNR1 P21554 3/20 0.30
MCHR1 Q99705 1/20 0.30
ACKR3 P25106 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
SCHEMBL1323120 1.00 NTRK1 (0.32) NTRK1P2RX3CSF1RXIAPBIRC3
SCHEMBL1323115 1.00 NTRK1 (0.32) NTRK1P2RX3CSF1RXIAPBIRC3
SCHEMBL2211967 0.90 KDM4E (0.34) NTRK1P2RX3CNR2CNR1
SCHEMBL2211972 0.90 KDM4E (0.34) NTRK1P2RX3CNR2CNR1
SCHEMBL380276 0.87 ELANE (0.35) NTRK1MCHR1
SCHEMBL12122067 0.87 ELANE (0.35) NTRK1MCHR1
SCHEMBL380277 0.87 ELANE (0.35) NTRK1MCHR1
SCHEMBL1324444 0.85 MAPT (0.38) NTRK1MCHR1
SCHEMBL12122066 0.85 MAPT (0.38) NTRK1MCHR1
SCHEMBL1324446 0.85 MAPT (0.38) NTRK1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 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-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 NTRK1 4030/4885P2RX3 4244/4885CSF1R 4403/4885

“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.