SCHEMBL16799683

SCHEMBL16799683

CCCCCCN1C[CH]CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.47
GNAI3 P08754 6/20 0.47
GNAI1 P63096 6/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GUSB P08236 2/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
SETD7 Q8WTS6 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
SCHEMBL1081412 0.98 GNAO1 (0.44) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL1199910 0.91
SCHEMBL9167508 0.88 GNAO1 (0.44) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL8012311 0.88 GNAO1 (0.44) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL4629578 0.87 GNAI3 (0.55) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL9766420 0.87 GNAI3 (0.55) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL8805965 0.87 GNAI3 (0.55) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL28783280 0.87 GNAI3 (0.55) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL1080135 0.86 GNAO1 (0.41) GNAO1GNAI3GNAI1ALDH1A1CYP1A2
SCHEMBL293030 0.85 GNAI3 (0.52) GNAO1GNAI3GNAI1ALDH1A1CYP1A2

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 15 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 claimed
US-9562035-B2 Benzamide derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-02-07 US claimed
EP-3077387-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica, N.V. (BE) 2016-10-12 EP claimed
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US claimed
WO-2015084606-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 WO claimed
CN-116685575-A Novel cooling substances and formulations containing these cooling substances 西姆莱斯股份公司 2023-09-01 CN disclosed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
EP-3077387-B1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 EP disclosed
CN-107405405-A Treatment and/or the new compositions and method of prevention chronic obstructive pulmonary disease 波尔多大学 2017-11-28 CN 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
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC GNAO1 2555/4885GNAI3 3371/4885GNAI1 3831/4885
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, FABP1, BCL3 GNAO1 3267/4885GNAI3 2940/4885GNAI1 2771/4885

“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.