SCHEMBL7870249

SCHEMBL7870249

Cc1nc2cccc3n2c1C(=O)N(CCCCNS(=O)(=O)C(F)(F)F)C3

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
EPHX1 P07099 1/20 0.33
IDO1 P14902 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
NR1I2 O75469 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRM2 Q14416 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 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
Hydrochloric Acid SCHEMBL7868672 0.99 NPY5R (0.34) NPY5REPHX1IDO1EGLN1NR1I2
SCHEMBL7863432 0.88 EPHX1 (0.36) NPY5REPHX1
Hydrochloric Acid SCHEMBL7871555 0.87 EPHX1 (0.36) NPY5REPHX1
SCHEMBL5270073 0.83 IDO1 (0.34) NPY5REPHX1IDO1EGLN1HTR7
Hydrochloric Acid SCHEMBL7875513 0.82 IDO1 (0.34) NPY5REPHX1IDO1EGLN1HTR7
SCHEMBL7863450 0.82 NPY5R (0.35) NPY5REPHX1IDO1EGLN1
Hydrochloric Acid SCHEMBL7863504 0.82 NPY5R (0.35) NPY5REPHX1IDO1EGLN1
SCHEMBL7871633 0.81 EPHX1 (0.35) NPY5REPHX1IDO1HTR7HTR6
Hydrochloric Acid SCHEMBL7863539 0.80 EPHX1 (0.34) NPY5REPHX1IDO1HTR7HTR6
SCHEMBL7872253 0.80 IDO1 (0.35) NPY5REPHX1IDO1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
US-5958942-A HAVING EXCELLENT PDGF-INHIBITING ACTIVITIES, ANTIHYPERTENSIVE ACTIVITIES, ACTIVITIES OF AMELIORATING RENAL DISEASES AND ACTIVITIES OF LOWERING LIPID LEVEL. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN NPY5R 1237/4885EPHX1 393/4885IDO1 795/4885

“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.