SCHEMBL6991073

SCHEMBL6991073

NCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RHOC P08134 2/20 0.56
RHOA P61586 2/20 0.56
TACR1 P25103 4/20 0.46
IDO1 P14902 2/20 0.46
MTOR P42345 2/20 0.44
MC4R P32245 2/20 0.43
MC5R P33032 2/20 0.43
GPBAR1 Q8TDU6 2/20 0.43
TAAR1 Q96RJ0 2/20 0.42
SCN8A Q9UQD0 2/20 0.41
MLYCD O95822 1/20 0.40
MC3R P41968 1/20 0.38
P2RX1 P51575 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36

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
SCHEMBL5084706 0.83 TACR1 (0.59) RHOCRHOATACR1IDO1MTOR
SCHEMBL19300959 0.83 SIGMAR1 (0.46) RHOCRHOATACR1IDO1TAAR1
SCHEMBL7249965 0.82 TAAR1 (0.62) IDO1MC4RMC5RTAAR1SCN8A
SCHEMBL4256377 0.81 RHOC (0.57) RHOCRHOATACR1IDO1MTOR
SCHEMBL6948873 0.81 RHOC (0.57) RHOCRHOATACR1IDO1MTOR
SCHEMBL8350245 0.81 TAAR1 (0.57) RHOCRHOAIDO1MTORMC4R
SCHEMBL4260305 0.81 RHOC (0.53) RHOCRHOATACR1IDO1MTOR
SCHEMBL16264598 0.81 RHOC (0.50) RHOCRHOATACR1MTORMC4R
SCHEMBL24477135 0.79 MC4R (0.55) MC4RMC5RMC3R
SCHEMBL19300873 0.77 RHOC (0.41) RHOCRHOATACR1IDO1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017147335-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 WO disclosed
EP-0733632-B1 Cyclic compounds, their production and use as tachykinin receptor antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-06-04 EP disclosed
US-6489315-B1 NOVEL CYCLIC COMPOUNDS HAVING AN EXCELLENT TACHYKININ RECEPTOR ANTAGONISTIC EFFECT, AND A METHOD FOR PRODUCING THEM, FOR TREATING DISORDERS OF INCONTINENCE, ASTHMA, MIGRAINE, IRRITABLE BOWEL SYNDROME, PAIN, COUGH OR EMESIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-20020132817-A1 Heterocyclic compounds, their production and use NATSUGARI HIDEAKI (JP) 2002-09-19 US disclosed
EP-1184036-A2 Heterocyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 2002-03-06 EP disclosed
EP-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 EP disclosed
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 CN disclosed
EP-1061926-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
US-6147071-A TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-11-14 US disclosed
WO-1999047132-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-23 WO disclosed
US-5770590-A EXCELLENT TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
EP-0733632-A1 Cyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 1996-09-25 EP 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-20020132817-A1 Heterocyclic compounds, their production and use CRH, CRHR1, CRHR2 RHOC 2512/4885RHOA 1520/4885TACR1 97/4885

“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.