SCHEMBL20530504

SCHEMBL20530504

Cc1cc(F)ccc1[C@H]1CNCC[C@@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.42
MC4R P32245 3/20 0.41
KCNH2 Q12809 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTR2A P28223 2/20 0.39

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
SCHEMBL14610180 0.88 MC4R (0.48) MC4RKCNH2HTR2A
Hydrochloric Acid SCHEMBL4755066 0.83 BRD4 (0.40) TACR1KCNH2MAPTPKMHTR2A
SCHEMBL5226251 0.80 MAPT (0.41) TACR1KCNH2MAPTPKMHTR2A
SCHEMBL4757554 0.80 TACR1 (0.38) TACR1
SCHEMBL16566340 0.78 TDP1 (0.42) MAPTPKM
SCHEMBL2882083 0.78 TACR1 (0.40) TACR1KCNH2HTR2A
SCHEMBL2877760 0.78 TACR1 (0.40) TACR1KCNH2HTR2A
SCHEMBL2877759 0.78 TACR1 (0.40) TACR1KCNH2HTR2A
SCHEMBL14610892 0.77 MC4R (0.46) MC4RKCNH2MAPTPKMHTR2A
SCHEMBL13949027 0.77 TACR1 (0.59) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388423-B1 NK1 RECEPTOR ANTAGONIST KISSEI PHARMACEUTICAL (JP) 2020-05-27 EP disclosed
US-10399949-B2 NK1 receptor antagonist KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-09-03 US disclosed
US-20190002414-A1 NK1 RECEPTOR ANTAGONIST KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-01-03 US disclosed
EP-3388423-A1 NK1 RECEPTOR ANTAGONIST Kissei Pharmaceutical Co., Ltd. (JP) 2018-10-17 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 (2 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-20190002414-A1 NK1 RECEPTOR ANTAGONIST TACR1, TACR2, GRPR TACR1 1/4885MC4R 291/4885KCNH2 102/4885
US-10399949-B2 NK1 receptor antagonist TACR1, TACR2, GRPR TACR1 1/4885MC4R 291/4885KCNH2 102/4885

“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.