SCHEMBL19972380

SCHEMBL19972380

COc1ccc(C2CCN(Cc3ccccc3)CC2NC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.57
MCHR1 Q99705 2/20 0.54
FAAH O00519 1/20 0.51
ACHE P22303 1/20 0.51
CHRM4 P08173 1/20 0.51
SLC18A3 Q16572 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL16032659 0.90 SIGMAR1 (0.52) SIGMAR1MCHR1FAAHACHECHRM4
SCHEMBL16032661 0.90 SIGMAR1 (0.52) SIGMAR1MCHR1FAAHACHECHRM4
SCHEMBL16032662 0.90 SIGMAR1 (0.52) SIGMAR1MCHR1FAAHACHECHRM4
SCHEMBL19972280 0.83 MCHR1 (0.56) SIGMAR1MCHR1DRD2DRD4
SCHEMBL16874797 0.83 MEN1 (0.63) SIGMAR1ACHESLC18A3MEN1KMT2A
SCHEMBL16874602 0.83 MEN1 (0.63) SIGMAR1ACHESLC18A3MEN1KMT2A
SCHEMBL6042122 0.83 MEN1 (0.63) SIGMAR1ACHESLC18A3MEN1KMT2A
SCHEMBL19972384 0.82 FPR1 (0.55) KMT2A
SCHEMBL19994149 0.80 SIGMAR1 (0.51) SIGMAR1MCHR1FAAHACHECHRM4
SCHEMBL19972322 0.78 FPR1 (0.67) MEN1KMT2A

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 SIGMAR1 620/4885MCHR1 1889/4885FAAH 218/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 SIGMAR1 620/4885MCHR1 1889/4885FAAH 218/4885

“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.