SCHEMBL3338849

SCHEMBL3338849

Cc1cc(C#N)c(Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TRPV4 Q9HBA0 3/20 0.39
AR P10275 4/20 0.39
KHK P50053 1/20 0.39
PGK1 P00558 1/20 0.39
CYP11B2 P19099 3/20 0.38
EGLN2 Q96KS0 1/20 0.38
TSHR P16473 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
VCAM1 P19320 1/20 0.34

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
SCHEMBL17520012 0.92 ALDH1A1 (0.46) ALDH1A1TRPV4ARKHKPGK1
SCHEMBL832660 0.83 TRPV4 (0.45) ALDH1A1TRPV4ARKHKCYP11B2
SCHEMBL3336692 0.82 ALDH1A1 (0.51) ALDH1A1TRPV4ARKHKPGK1
SCHEMBL18179223 0.82 TRPV4 (0.45) ALDH1A1TRPV4ARPGK1CYP11B2
SCHEMBL23730334 0.82 TRPV4 (0.46) TRPV4KHKCYP11B2EGLN2TSHR
SCHEMBL7931517 0.80 ALDH1A1 (0.46) ALDH1A1TRPV4ARKHKPGK1
SCHEMBL10257221 0.80 TRPV4 (0.40) TRPV4KHKCYP11B2EGLN2TSHR
SCHEMBL862662 0.80 TRPV4 (0.50) TRPV4KHKCYP11B2EGLN2TSHR
SCHEMBL30583466 0.80 TRPV4 (0.50) TRPV4KHKCYP11B2EGLN2TSHR
SCHEMBL28831695 0.79 ALDH1A1 (0.42) ALDH1A1TRPV4ARKHKPGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 ALDH1A1 2416/4885TRPV4 3837/4885AR 1/4885

“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.