SCHEMBL6508415

SCHEMBL6508415

CC(=O)N1CCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCO3)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.44
P2RX3 P56373 1/20 0.39
USP2 O75604 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MET P08581 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
PIK3R1 P27986 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL29373661 1.00 TACR1 (0.44) TACR1P2RX3USP2CYP1A2CYP2C19
SCHEMBL13891620 0.98 TACR1 (0.43) TACR1P2RX3USP2CYP1A2CYP2C19
SCHEMBL15680049 0.96 TACR1 (0.41) TACR1P2RX3USP2CYP1A2CYP2C19
SCHEMBL13891767 0.90 P2RX3 (0.40) P2RX3PIK3R1MTOR
SCHEMBL13891719 0.89 TACR1 (0.48) TACR1
SCHEMBL13891721 0.89 HTT (0.37) P2RX3PIK3R1MTOR
SCHEMBL5527526 0.87 TACR1 (0.43) TACR1USP2CYP1A2CYP2C19MET
SCHEMBL5230814 0.87 TACR1 (0.44) TACR1P2RX3USP2CYP1A2CYP2C19
SCHEMBL13891688 0.86 TACR1 (0.41) TACR1TSHR
SCHEMBL5228486 0.86 TACR1 (0.44) TACR1P2RX3USP2CYP1A2CYP2C19

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
US-20210015834-A1 NK-1 ANTAGONISTS FOR USE IN THE TREATMENT OF OCULAR PAIN OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-01-21 US disclosed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
US-20140128395-A1 Novel Method IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 US disclosed
WO-2005019225-A1 PROCESS FOR PRODUCING COMPOUND HAVING NK1 RECEPTOR ANTAGONISM AND PRODUCTION INTERMEDIATE THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 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 (3 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-20140128395-A1 Novel Method BAK1, VIPR1, BDKRB1 TACR1 38/4885P2RX3 600/4885USP2 4511/4885
US-20210015834-A1 NK-1 ANTAGONISTS FOR USE IN THE TREATMENT OF OCULAR PAIN OPRK1, OPRL1, KLKB1 TACR1 18/4885P2RX3 29/4885USP2 4064/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 TACR1 119/4885P2RX3 784/4885USP2 4417/4885

“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.