SCHEMBL4896448

SCHEMBL4896448

c1ccc2c(c1)ccn2CN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
RAD52 P43351 1/20 0.54
ABCB1 P08183 1/20 0.49
HTR6 P50406 5/20 0.48
KMT2A Q03164 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
P2RX7 Q99572 1/20 0.43
PRMT5 O14744 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL7052509 0.98 CDK4 (0.57) CDK4CCND1RAD52ABCB1HTR6
SCHEMBL4828100 0.95 CDK4 (0.57) CDK4CCND1RAD52ABCB1HTR6
SCHEMBL12543448 0.84 CDK4 (0.69) CDK4CCND1RAD52ABCB1HTR6
SCHEMBL3205345 0.83 CDK4 (0.56) CDK4CCND1ABCB1HTR6HTR2A
SCHEMBL30041985 0.83 CDK4 (0.52) CDK4CCND1RAD52HTR6KMT2A
SCHEMBL5944315 0.83 CDK4 (0.52) CDK4CCND1HTR6KMT2AHTR2A
SCHEMBL3205958 0.83 CDK4 (0.52) CDK4CCND1RAD52HTR6KMT2A
SCHEMBL3990185 0.82 CDK4 (0.71) CDK4CCND1RAD52ABCB1HTR6
SCHEMBL29780338 0.82 CDK4 (0.71) CDK4CCND1RAD52ABCB1HTR6
Ammonia Solution, Strong SCHEMBL28783985 0.81 CDK4 (0.55) CDK4CCND1ABCB1HTR6HTR2A

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
US-8410075-B2 Mannich base N-oxide drugs CASCADE PRODRUG INC. (US) 2013-04-02 US disclosed
US-8410075-B2 Mannich base N-oxide drugs CASCADE PRODRUG INC. (US) 2013-04-02 US disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
US-20080027072-A1 Potentiation of MC4 receptor activity AMPLA PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
US-4358456-A Antipsychotic piperidinomethyl-indole derivatives JOHN WYETH & BROTHER LIMITED (GB) 1982-11-09 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 (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-20080027072-A1 Potentiation of MC4 receptor activity MC4R, MC5R, MC2R CDK4 2925/4885CCND1 4494/4885RAD52 4256/4885
US-20100016252-A1 Mannich Base N-Oxide Drugs ASAH2, MAN2B1, NNT CDK4 2781/4885CCND1 4181/4885RAD52 4108/4885

“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.