SCHEMBL16107429

SCHEMBL16107429

O=C(O)N1CC=C(c2cccc3ccc(OCc4ccccc4)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.47
▸ PIM2 Q9P1W9 1/20 0.47
▸ PRMT5 O14744 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GRM5 P41594 3/20 0.39
▸ BTK Q06187 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDK4 Q16654 1/20 0.37

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
SCHEMBL16107306 0.84 PDK4 (0.40) ALDH1A1ALOX15TSHRMAPK1CDK9
SCHEMBL29555104 0.82 PRMT5 (0.49) PRMT5ALDH1A1ALOX15TSHRGRM5
SCHEMBL16291515 0.82 PRMT5 (0.49) PRMT5ALDH1A1ALOX15TSHRGRM5
SCHEMBL25169744 0.80 PRMT5 (0.44) PRMT5ALDH1A1ALOX15TSHRGRM5
SCHEMBL28750120 0.79 MEN1 (0.46) PRMT5ALDH1A1BTKSMN1; SMN2
SCHEMBL29197644 0.78 CDK9 (0.39) PRMT5GRM5BTKCDK9MAPT
SCHEMBL29094612 0.76 PRMT5 (0.40) PRMT5ALDH1A1ALOX15GRM5BTK
SCHEMBL29094666 0.76 GRM5 (0.40) PRMT5GRM5BTKCDK9PDK4
SCHEMBL30273891 0.75 GRM5 (0.37) PRMT5GRM5BTKCDK9PDK4
SCHEMBL29094575 0.74 CDK9 (0.38) PRMT5GRM5BTKCDK9MAPT

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-20140296528-A1 4-ARYL-1-(BIARYLMETHYLENE) PIPERIDINE COMPOUNDS KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2014-10-02 — — 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-20140296528-A1 4-ARYL-1-(BIARYLMETHYLENE) PIPERIDINE COMPOUNDS HTR2C, HTR3C, HTR1D PIM1 2355/4885PIM2 1533/4885PRMT5 1696/4885

“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.

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