SCHEMBL6313636

SCHEMBL6313636

COc1cccc(C2(C#N)CCCCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A4 P31645 9/20 0.46
SLC6A2 P23975 7/20 0.46
SLC6A3 Q01959 1/20 0.46
KDM1A O60341 1/20 0.45
GAA P10253 1/20 0.43
SLC22A1 O15245 3/20 0.43
OPRM1 P35372 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7387709 0.98 KMT2A (0.74) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL7539835 0.95 KMT2A (0.74) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL1007128 0.92 KMT2A (0.78) KMT2AALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL23778358 0.86 KMT2A (0.70) KMT2AALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL5470264 0.85 KMT2A (0.61) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL4878379 0.85 KMT2A (0.68) KMT2ASLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL1625323 0.85 KMT2A (0.68) KMT2ASLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL11814914 0.84 KMT2A (1.00) KMT2ASLC6A4SLC6A2SLC6A3OPRM1
Hydrochloric Acid SCHEMBL3249332 0.84 KMT2A (0.67) KMT2ASLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL2288239 0.84 KMT2A (0.67) KMT2AALDH1A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213255-A Synthetic method of six-membered ring benzylamine compound 上海泰坦科技股份有限公司 2022-03-22 CN disclosed
US-6908934-B2 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. (US) 2005-06-21 US disclosed
US-20030125357-A1 Therapeutic compounds for treating dyslipidemic conditions MERCK & CO., INC. 2003-07-03 US disclosed
US-5223530-A Selective high-affinity ligands for treatment of psychological disorders, side effect reduction SRI, INTERNATIONAL (US) 1993-06-29 US disclosed
EP-0495084-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-07-22 EP disclosed
WO-1992002481-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-02-20 WO disclosed
US-5086054-A Selective high-affinity ligands to sigma boding sites, administering, amipsychotic, antiarrhythmia, antiischemic agents anticonvulsants, reduced side effects SRI INTERNATIONAL (US) 1992-02-04 US 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-20030125357-A1 Therapeutic compounds for treating dyslipidemic conditions NR1H2, NR1H3, APOB KMT2A 2464/4885ALDH1A1 901/4885KDM4E 3246/4885

“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.