SCHEMBL16285697

SCHEMBL16285697

CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5ccc(F)cc5)c4c3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
CDK4 P11802 4/20 0.48
CCND1 P24385 4/20 0.48
CCND2 P30279 4/20 0.48
CCND3 P30281 4/20 0.48
GAA P10253 2/20 0.47
DHFR P00374 1/20 0.46
FYN P06241 2/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
KDM1A O60341 1/20 0.44
JAK2 O60674 1/20 0.44
EGFR P00533 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 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
SCHEMBL16285698 0.91 CDK4 (0.48) CDK4CCND1CCND2CCND3GAA
SCHEMBL16285681 0.90 FYN (0.56) CDK4CCND1CCND2CCND3DHFR
SCHEMBL16285670 0.89 NTRK1 (0.50) MAPTHPGDCDK4CCND1CCND2
SCHEMBL16285671 0.88 MEN1 (0.53) MAPTHPGDSMN1; SMN2CDK4CCND1
SCHEMBL16285674 0.88 CDK4 (0.50) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285684 0.86 CDK4 (0.45) MAPTHPGDCDK4CCND1CCND2
SCHEMBL16285682 0.86 CDK4 (0.45) MAPTHPGDCDK4CCND1CCND2
SCHEMBL16285709 0.85 HTR1A (0.46) CDK4CCND1CCND2CCND3JAK2
SCHEMBL16285675 0.85 EGFR (0.49) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285701 0.85 CDK4 (0.47) CDK4CCND1CCND2CCND3FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A MAPT 679/4885HPGD 2207/4885SMN1; SMN2 1858/4885

“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.