SCHEMBL19972285

SCHEMBL19972285

O=C1CC(c2ccc(OC(F)F)cc2)C(C(=O)O)CN1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 6/20 0.55
FPR2 P25090 4/20 0.55
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAP2K1 Q02750 1/20 0.35
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35
ADAM17 P78536 1/20 0.35
STING1 Q86WV6 1/20 0.35
ATM Q13315 1/20 0.35
SCN8A Q9UQD0 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
SCHEMBL19972326 0.83 FPR1 (0.53) FPR1FPR2TSHRKMT2ANPC1
SCHEMBL4428159 0.81 FPR1 (0.40) FPR1FPR2POLBALDH1A1
SCHEMBL6691503 0.81 FPR1 (0.40) FPR1FPR2POLBALDH1A1
SCHEMBL4428167 0.81 FPR1 (0.40) FPR1FPR2POLBALDH1A1
SCHEMBL4428165 0.81 FPR1 (0.40) FPR1FPR2POLBALDH1A1
SCHEMBL19972264 0.80 FPR1 (0.56) FPR1FPR2
SCHEMBL19972262 0.80 FPR1 (0.56) FPR1FPR2
SCHEMBL19972259 0.80 FPR1 (0.56) FPR1FPR2
SCHEMBL19972233 0.79 MCL1 (0.43) FPR1FPR2ALDH1A1
SCHEMBL19985883 0.79 MCL1 (0.43) FPR1FPR2ALDH1A1

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
CN-109715614-A The 6 yuan of cyclammonium or lactams replaced with urea and phenyl 格吕伦塔尔有限公司 2019-05-03 CN disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 FPR1 2/4885FPR2 1/4885TSHR 1909/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 FPR1 2/4885FPR2 1/4885TSHR 1909/4885

“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.