SCHEMBL16799648

SCHEMBL16799648

Cn1cc(-c2ccc(C3=CCNCC3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.51
QDPR P09417 3/20 0.51
SIGMAR1 Q99720 2/20 0.51
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ACVR1 Q04771 2/20 0.41
TGFBR1 P36897 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL23411018 0.92 SIGMAR1 (0.50) HTR2CQDPRSIGMAR1ACVR1TGFBR1
SCHEMBL20400771 0.80 KHK (0.38) HTR2CQDPRSIGMAR1ACVR1TGFBR1
SCHEMBL25196781 0.77 RET (0.56) HTR2C
SCHEMBL20414653 0.76 HTR2C (0.49) HTR2CQDPRSIGMAR1ACVR1TGFBR1
Hydrochloric Acid SCHEMBL18113565 0.75 HTR2C (0.50) HTR2CQDPRSIGMAR1
SCHEMBL27007728 0.74 HTR2C (0.54) HTR2CQDPRSIGMAR1ACVR1TGFBR1
SCHEMBL31297640 0.73 CLK2 (0.39) HTR2C
SCHEMBL18113560 0.73 HTR2C (0.49) HTR2CQDPRSIGMAR1ACVR1TGFBR1
SCHEMBL12373870 0.73 HTR2C (0.49) HTR2CQDPRSIGMAR1
SCHEMBL3899585 0.72 SIGMAR1 (0.92) HTR2CQDPRSIGMAR1HTR7HTR6

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 HTR2C 2477/4885QDPR 956/4885SIGMAR1 2451/4885

“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.