SCHEMBL16799100

SCHEMBL16799100

COC(=O)N1CCC(O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ACE2 Q9BYF1 1/20 0.49
S1PR2 O95136 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C19 P33261 3/20 0.47
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
OPRD1 P41143 1/20 0.47
OPRL1 P41146 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL1199600 0.84 RORC (0.51) CCR1CA12CA1CA2CA7
SCHEMBL578234 0.83 CA12 (0.56) CCR1CA12CA1CA2CA7
SCHEMBL5442748 0.82 FAAH (0.47) CCR1CA12CA1CA2CA7
SCHEMBL1427539 0.81 CA12 (0.57) CCR1CA12CA1CA2CA7
SCHEMBL9393994 0.80 SMN1; SMN2 (0.52) CCR1CA12CA1CA2CA7
SCHEMBL13897464 0.80 CYP3A4 (0.43) ALDH1A1CYP3A4CYP2C19OPRD1MEN1
SCHEMBL29691893 0.80 RORC (0.48) CCR1CA12CA1CA2CA7
SCHEMBL5443608 0.79 L3MBTL1 (0.50) CCR1CA12CA1CA2CA7
SCHEMBL16799752 0.78 OPRL1 (0.40) CCR1CA12CA1CA2CA7
SCHEMBL5912126 0.78 MAPT (0.63) S1PR2ALDH1A1SMN1; SMN2MAPTCYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077387-B1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 EP disclosed
US-9562035-B2 Benzamide derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-02-07 US disclosed
EP-3077387-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica, N.V. (BE) 2016-10-12 EP disclosed
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US disclosed
WO-2015084606-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 WO 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 (1 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-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, FABP1, BCL3 CCR1 2489/4885CA12 4812/4885CA1 4877/4885

“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.