SCHEMBL6178407

SCHEMBL6178407

COc1ccc(F)cc1C1=CCN(C[C@@H](CN)Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.50
CDK9 P50750 15/20 0.50
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CDK2 P24941 1/20 0.45
CDK8 P49336 1/20 0.45
CDK6 Q00534 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL6178409 0.85 CCNT1 (0.54) CCNT1CDK9CDK1CDK4CDK2
SCHEMBL6179323 0.82 CCNT1 (0.67) CCNT1CDK9MEN1KMT2A
SCHEMBL6180652 0.77 PPARG (0.52) CCNT1CDK9PPARGPPARA
SCHEMBL6177497 0.75 MEN1 (0.51) CCNT1CDK9MEN1KMT2A
Hydrochloric Acid SCHEMBL6177059 0.73 CCNT1 (0.49) CCNT1CDK9
SCHEMBL2396688 0.71 HTR1A (0.57) CCNT1CDK9MEN1KMT2APPARG
SCHEMBL5246497 0.71 OPRM1 (0.59) CCNT1CDK9MEN1KMT2A
SCHEMBL6180709 0.70 CCNT1 (0.51) CCNT1CDK9
Cyclohexane SCHEMBL6181993 0.69 PPARG (0.52) CCNT1CDK9MEN1KMT2APPARG
SCHEMBL31348196 0.69 CCNT1 (0.52) CCNT1CDK9CDK1CDK4CDK2

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-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP disclosed
US-6503928-B2 Central nervous system disorders; psychological disorders WYETH 2003-01-07 US disclosed
US-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US disclosed
US-6326381-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 US disclosed
US-6239126-B1 ANTAGONISTS OF THE 5HT1A RECEPTOR SUBTYPE. AMERICAN HOME PRODUCTS CORPORATION 2001-05-29 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-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives ADRA1D, ADH1C, HTR1D CCNT1 2029/4885CDK9 881/4885CDK1 1437/4885

“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.