SCHEMBL3423976

SCHEMBL3423976

O=C(O)Cc1nc2cc(C(F)(F)F)ccc2[nH]1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
EGLN1 Q9GZT9 1/20 0.41
IDO1 P14902 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
CHRM1 P11229 1/20 0.40
S1PR1 P21453 1/20 0.40
F9 P00740 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
AKR1B1 P15121 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1H O95180 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL3372786 0.99 MAOB (0.46) MAOBEGLN1IDO1NTRK1NTRK2
SCHEMBL10896012 0.86 MAOB (0.46) MAOBIDO1NTRK1NTRK2F9
Lithium Ion SCHEMBL3423977 0.85 MAOB (0.45) MAOBIDO1NTRK1NTRK2F9
SCHEMBL10896019 0.84 IDO1 (0.42) MAOBIDO1NTRK1NTRK2F9
SCHEMBL16176685 0.81 CACNA1H (0.51) NTRK1NTRK2F9KDM4ECACNA1G
SCHEMBL4556153 0.81 TDP1 (0.47) MAOBIDO1NTRK1NTRK2F9
SCHEMBL9513404 0.80 TSHR (0.47) MAOBIDO1CHRM1KDM4EPRKAG1
SCHEMBL3370001 0.80 HSD17B10 (0.49) MAOBIDO1NTRK1NTRK2KDM4E
SCHEMBL9570340 0.78 PDE10A (0.47) MAOBIDO1NTRK1NTRK2S1PR1
SCHEMBL9597974 0.78 PDE10A (0.47) MAOBIDO1NTRK1NTRK2S1PR1

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-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7291615-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 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 (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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 MAOB 3170/4885EGLN1 3013/4885IDO1 1684/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 MAOB 3083/4885EGLN1 3201/4885IDO1 2002/4885

“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.