SCHEMBL4637709

SCHEMBL4637709

Nc1cnnc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.39
CYP19A1 P11511 4/20 0.38
GRM2 Q14416 2/20 0.38
IDH1 O75874 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
TACR1 P25103 1/20 0.35
HPGD P15428 1/20 0.35
GALR3 O60755 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NR2F2 P24468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL5633004 0.94 IDH1 (0.37) ALDH1A1TSHRGAAGRM2IDH1
SCHEMBL4705450 0.85 RORB (0.42) ALDH1A1TSHRGAAGRM2GABRA2
SCHEMBL4638919 0.82 TACR1 (0.48) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4638603 0.82 ALDH1A1 (0.44) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4706457 0.82 ALDH1A1 (0.44) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4637956 0.81 ALDH1A1 (0.46) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4637835 0.80 ALDH1A1 (0.43) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL4705403 0.80 RORB (0.41) GRM2IDH1RORCRORB
SCHEMBL4638479 0.80 ALDH1A1 (0.46) ALDH1A1TSHRGAACYP19A1GRM2
SCHEMBL6230808 0.80 ALDH1A1 (0.43) ALDH1A1TSHRGAACYP19A1GRM2

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 ALDH1A1 1988/4885TSHR 337/4885GAA 1920/4885

“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.