SCHEMBL19972395

SCHEMBL19972395

COc1ccc(C2CC(=O)N(C)CC2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
FPR1 P21462 2/20 0.51
FPR2 P25090 1/20 0.51
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KMT2A Q03164 2/20 0.44
HSD17B2 P37059 3/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 3/20 0.41
HTR2C P28335 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL19972392 1.00 KDM1A (0.54) KDM1AMAOAMAOBFPR1FPR2
SCHEMBL19985878 1.00 KDM1A (0.54) KDM1AMAOAMAOBFPR1FPR2
Hydrochloric Acid SCHEMBL19972231 0.99 KDM1A (0.55) KDM1AMAOAMAOBFPR1FPR2
SCHEMBL19985879 0.79 FPR1 (0.56) KDM1AMAOAMAOBFPR1KMT2A
SCHEMBL18117748 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6558457 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL19972295 0.78 FPR1 (0.55) KDM1AMAOAMAOBFPR1HSD17B2
Hydrochloric Acid SCHEMBL19972298 0.78 FPR1 (0.55) KDM1AMAOAMAOBFPR1HSD17B2
SCHEMBL19972343 0.76 FPR1 (0.68) FPR1FPR2PDE4APDE4BPDE4C
SCHEMBL21342338 0.74 KDM1A (0.51) KDM1AMAOAMAOBPDE4APDE4B

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.