SCHEMBL4775980

SCHEMBL4775980

CCC(=O)NCCc1ccc(C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.63
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
CNR1 P21554 1/20 0.55
HPGD P15428 2/20 0.54
ABCB1 P08183 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CYP2A6 P11509 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL9222813 0.84 ABCB1 (0.58) ACACBPOLBMAPTCNR1HPGD
SCHEMBL24897168 0.83 KDM4E (0.64) ACACBPOLBMAPTCNR1HPGD
SCHEMBL19049390 0.83 LOXL2 (0.56) ACACBCYP2A6RAB9A
SCHEMBL23467854 0.83 POLB (0.55) ACACBPOLBMAPTCNR1HPGD
SCHEMBL19002548 0.83 POLB (0.55) ACACBPOLBMAPTCNR1HPGD
SCHEMBL19002541 0.82 MTNR1A (0.62) ACACBCNR1HPGDABCB1ABCG2
SCHEMBL2001284 0.81 CNR1 (0.58) POLBMAPTCNR1HPGDABCB1
SCHEMBL24943133 0.81 CNR1 (0.62) ACACBPOLBMAPTCNR1HPGD
SCHEMBL660115 0.80 HPGD (0.62) ACACBPOLBHPGDMTNR1AMTNR1B
SCHEMBL7842536 0.80 KDM4E (0.68) ACACBMAPTHPGDMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 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 (3 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-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ACACB 2691/4885POLB 3534/4885MAPT 4169/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ACACB 2691/4885POLB 3534/4885MAPT 4169/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ACACB 807/4885POLB 1589/4885MAPT 2731/4885

“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.