SCHEMBL19972346

SCHEMBL19972346

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.54
FPR2 P25090 4/20 0.54
KDM1A O60341 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
DRD3 P35462 1/20 0.45
BACE1 P56817 1/20 0.45
PDE4B Q07343 1/20 0.44
QDPR P09417 1/20 0.43
POLB P06746 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL19972344 1.00 FPR1 (0.54) FPR1FPR2KDM1AMAOAMAOB
SCHEMBL19985876 1.00 FPR1 (0.54) FPR1FPR2KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL19972276 0.99 FPR1 (0.53) FPR1FPR2KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL19972275 0.99 FPR1 (0.53) FPR1FPR2KDM1AMAOAMAOB
SCHEMBL3197360 0.81 KDM1A (0.47) KDM1AMAOAMAOBALDH1A1
SCHEMBL20805979 0.80 ALDH1A1 (0.61) FPR1FPR2MEN1KMT2APDE4B
SCHEMBL19972322 0.80 FPR1 (0.67) FPR1FPR2KDM1AMAOAMAOB
SCHEMBL19972255 0.78 FPR1 (0.57) FPR1FPR2QDPR
SCHEMBL19985877 0.78 FPR1 (0.57) FPR1FPR2QDPR
SCHEMBL19972257 0.78 FPR1 (0.57) FPR1FPR2QDPR

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 8 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
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
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 1/4885KDM1A 4514/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 FPR1 2/4885FPR2 1/4885KDM1A 4514/4885

“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.