SCHEMBL19988415

SCHEMBL19988415

COc1ccc(C2NCCCC2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
TACR1 P25103 8/20 0.43
TRPV1 Q8NER1 1/20 0.41
PDE4B Q07343 2/20 0.41
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL5745869 0.87 KDM1A (0.51) KDM1ATACR1CYP2D6
SCHEMBL5744393 0.87 KDM1A (0.51) KDM1ATACR1CYP2D6
SCHEMBL6311266 0.87 KDM1A (0.51) KDM1ATACR1CYP2D6
SCHEMBL5744384 0.87 KDM1A (0.51) KDM1ATACR1CYP2D6
SCHEMBL5744386 0.87 KDM1A (0.51) KDM1ATACR1CYP2D6
SCHEMBL19972272 0.85 TACR1 (0.51) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL19988737 0.81 FPR1 (0.39) KDM1APDE4B
SCHEMBL12596343 0.79 KDM1A (0.53) KDM1ATACR1
SCHEMBL6310438 0.78 KDM1A (0.41) KDM1AHTR2C
SCHEMBL20921424 0.77 FPR1 (0.61) KDM1A

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 3 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

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 4514/4885TACR1 475/4885TRPV1 900/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 KDM1A 4514/4885TACR1 475/4885TRPV1 900/4885

“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.