SCHEMBL19985879

SCHEMBL19985879

COc1ccc(C2CC(=O)N(CC3CC3)C[C@H]2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.56
DPP4 P27487 1/20 0.49
KDM1A O60341 3/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GRM2 Q14416 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2C P28335 1/20 0.39
KDM2B Q8NHM5 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HSD17B2 P37059 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
Hydrochloric Acid SCHEMBL19972298 0.99 FPR1 (0.55) FPR1DPP4KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL19972295 0.99 FPR1 (0.55) FPR1DPP4KDM1AMAOAMAOB
SCHEMBL19985880 0.80 FPR1 (0.57) FPR1DPP4
SCHEMBL19994158 0.80 FPR1 (0.57) FPR1DPP4
SCHEMBL19972286 0.79 FPR1 (0.71) FPR1POLBTDP1KDM2B
Hydrochloric Acid SCHEMBL19972420 0.79 FPR1 (0.56) FPR1DPP4
Hydrochloric Acid SCHEMBL19972422 0.79 FPR1 (0.56) FPR1DPP4
SCHEMBL19985878 0.79 KDM1A (0.54) FPR1KDM1AMAOAMAOBL3MBTL1
SCHEMBL19972395 0.79 KDM1A (0.54) FPR1KDM1AMAOAMAOBL3MBTL1
SCHEMBL19972392 0.79 KDM1A (0.54) FPR1KDM1AMAOAMAOBL3MBTL1

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
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

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 2/4885DPP4 4385/4885KDM1A 4514/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 FPR1 2/4885DPP4 4385/4885KDM1A 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.