SCHEMBL6992775

SCHEMBL6992775

Cc1ccc(-c2ccnc3c2C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](C)CO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.54
ADRB2 P07550 1/20 0.42
FPR1 P21462 1/20 0.42
GPR183 P32249 1/20 0.42
APLNR P35414 1/20 0.42
GLP1R P43220 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
GPR35 Q9HC97 1/20 0.42
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TNIK Q9UKE5 2/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL6795212 0.92 TACR1 (0.47) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL6793822 0.92 TACR1 (0.47) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL6796264 0.86 TACR1 (0.40) TACR1
SCHEMBL6788440 0.85 TACR1 (0.51) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL6789254 0.80 GRM2 (0.40) TACR1
SCHEMBL6787553 0.80 GRM2 (0.40) TACR1
SCHEMBL6789865 0.79 TACR1 (0.49) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL6789875 0.79 TACR1 (0.49) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL6793955 0.79 TACR1 (0.49) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL6989544 0.76 GPBAR1 (0.50) TACR1ADRB2FPR1GPR183APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147071-A TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-11-14 US claimed
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
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 CN disclosed
US-6147071-A TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-11-14 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 TACR1 97/4885ADRB2 70/4885FPR1 511/4885

“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.