SCHEMBL14620544

SCHEMBL14620544

CCCN1CC(=O)N2[C@@H](c3ccccc3)C(=O)N(CCc3ccccc3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL13184701 0.95 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL748454 0.90 POLB (0.46) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12037780 0.90 MEN1 (0.49) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL744761 0.89 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL13745230 0.89 CYP3A4 (0.49) CYP3A4
SCHEMBL12037483 0.89 CNR1 (0.43) CYP3A4CNR1CNR2
SCHEMBL12036587 0.89 CNR1 (0.44) CYP3A4CNR1CNR2
SCHEMBL746947 0.88 MEN1 (0.41) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL14620156 0.88 CYP3A4 (0.51) CYP3A4
SCHEMBL12037546 0.87 CNR1 (0.45) CYP3A4CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 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-20070043052-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CYP3A4 4757/4885CYP2D6 4684/4885CYP2C9 4739/4885

“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.