SCHEMBL4629578

SCHEMBL4629578

CCCCCCN1CC[CH]CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.55
GNAO1 P09471 6/20 0.55
GNAI1 P63096 6/20 0.55
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.45
GUSB P08236 2/20 0.44
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL8805965 1.00 GNAI3 (0.55) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL9766420 1.00 GNAI3 (0.55) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL28783280 1.00 GNAI3 (0.55) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL293030 0.98 GNAI3 (0.52) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL2103662 0.91 GNAI3 (0.43) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL7538960 0.90 GNAI3 (0.46) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL16799683 0.87 GNAO1 (0.47) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL1081412 0.84 GNAO1 (0.44) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL1043420 0.83 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA
SCHEMBL18630997 0.83 GNAI3 (0.74) GNAI3GNAO1GNAI1KDM4EGAA

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 40 patents — showing the first 20. 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
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
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
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5300513-A Vasopressin antagonists; vasodilators, hypotensive agents, water diuretics, and platelet agglutination inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-05 US disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
CN-1066653-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1992-12-02 CN disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed
CN-1058779-A Carbostyril derivative and the pharmaceutical composition that contains this compound OTSUKA PHARMA CO LTD (JP) 1992-02-19 CN disclosed
EP-0470514-A1 Carbostyril derivatives and pharmaceutical composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-02-12 EP disclosed
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP 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 GNAI3 3371/4885GNAO1 2555/4885GNAI1 3831/4885
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, FABP1, BCL3 GNAI3 2940/4885GNAO1 3267/4885GNAI1 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.