SCHEMBL19972233

SCHEMBL19972233

O=C1CC(c2ccccc2)C(C(=O)O)CN1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
PARP3 Q9Y6F1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
FFAR1 O14842 1/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
HDAC4 P56524 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SLC6A3 Q01959 1/20 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
SCHEMBL19985883 1.00 MCL1 (0.43) MCL1BCL2L1PARP3ALDH1A1LMNA
SCHEMBL28492624 0.87 SLC9A1 (0.42) PARP3ALDH1A1LMNAFPR1FPR2
SCHEMBL28490616 0.86 MCL1 (0.49) MCL1BCL2L1PARP3ALDH1A1LMNA
SCHEMBL4428165 0.86 FPR1 (0.40) ALDH1A1LMNAFPR1FPR2
SCHEMBL6691503 0.86 FPR1 (0.40) ALDH1A1LMNAFPR1FPR2
SCHEMBL4428159 0.86 FPR1 (0.40) ALDH1A1LMNAFPR1FPR2
SCHEMBL4428167 0.86 FPR1 (0.40) ALDH1A1LMNAFPR1FPR2
SCHEMBL1096906 0.83 SLC6A4 (0.49) SLC6A3
SCHEMBL19972326 0.82 FPR1 (0.53) FPR1FPR2
SCHEMBL19972414 0.82 FPR1 (0.53) MCL1FFAR1FPR1FPR2SLC6A3

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-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP 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

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 MCL1 2462/4885BCL2L1 2392/4885PARP3 1955/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 MCL1 2462/4885BCL2L1 2392/4885PARP3 1955/4885

“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.