SCHEMBL19972306

SCHEMBL19972306

COc1ccc([C@@H]2CC(=O)NC[C@H]2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.56
MAOA P21397 2/20 0.56
MAOB P27338 1/20 0.56
FPR1 P21462 3/20 0.50
FPR2 P25090 1/20 0.50
MAP2K1 Q02750 1/20 0.49
PDE4A P27815 4/20 0.44
TSHR P16473 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HTR2C P28335 1/20 0.42
MTNR1A P48039 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL19972309 1.00 KDM1A (0.56) KDM1AMAOAMAOBFPR1FPR2
SCHEMBL19985875 1.00 KDM1A (0.56) KDM1AMAOAMAOBFPR1FPR2
Hydrochloric Acid SCHEMBL19972352 0.98 KDM1A (0.57) KDM1AMAOAMAOBFPR1FPR2
Hydrochloric Acid SCHEMBL19972354 0.98 KDM1A (0.57) KDM1AMAOAMAOBFPR1FPR2
SCHEMBL19972326 0.78 FPR1 (0.53) FPR1FPR2MAP2K1PDE4ATSHR
SCHEMBL1268717 0.78 TSHR (0.69) MAP2K1PDE4ATSHRPDE4BPDE4C
SCHEMBL18117753 0.78 TSHR (0.69) MAP2K1PDE4ATSHRPDE4BPDE4C
SCHEMBL19972394 0.76 FPR1 (0.69) FPR1FPR2
SCHEMBL19972358 0.75 FPR1 (0.53) FPR1FPR2
SCHEMBL19972355 0.75 FPR1 (0.53) FPR1FPR2

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 KDM1A 4514/4885MAOA 164/4885MAOB 127/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 KDM1A 4514/4885MAOA 164/4885MAOB 127/4885

“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.