SCHEMBL4436043

SCHEMBL4436043

Cc1cccc(N2CCNC(C)C2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.53
▸ PIM3 Q86V86 3/20 0.53
▸ PIM2 Q9P1W9 3/20 0.53
▸ HTR3E A5X5Y0 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ HTR3D Q70Z44 1/20 0.53
▸ HTR3C Q8WXA8 1/20 0.53
▸ PRKCQ Q04759 3/20 0.52
▸ PRKCD Q05655 1/20 0.52
▸ ALOX5 P09917 2/20 0.49
▸ GRIN2B Q13224 4/20 0.44
▸ CSNK1E P49674 1/20 0.42
▸ LCK P06239 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ KHK P50053 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ACVR1 Q04771 1/20 0.41

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
SCHEMBL4436036 1.00 PIM1 (0.53) PIM1PIM3PIM2HTR3EHTR3B
SCHEMBL3272049 0.83 HTR3E (0.62) PIM1PIM3PIM2HTR3EHTR3B
Hydrochloric Acid SCHEMBL9130628 0.82 HTR3E (0.60) PIM1PIM3PIM2HTR3EHTR3B
SCHEMBL18794206 0.79 PRKCQ (0.49) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL75430 0.78 HTR3E (0.66) PIM1PIM3PIM2HTR3EHTR3B
SCHEMBL26669816 0.77 PRKCQ (0.48) PIM1PIM3PIM2PRKCQPRKCD
Hydrochloric Acid SCHEMBL20339484 0.77 HTR3E (0.64) PIM1PIM3PIM2HTR3EHTR3B
Hydrochloric Acid SCHEMBL5364892 0.77 HTR3E (0.64) PIM1PIM3PIM2HTR3EHTR3B
SCHEMBL234735 0.76 PLD1 (0.60) PRKCQPRKCDGRIN2BCSNK1EACVR1
SCHEMBL31745447 0.76 PLD1 (0.60) PRKCQPRKCDGRIN2BCSNK1EACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 — — US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 — — EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 — — 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 PIM1 3014/4885PIM3 2582/4885PIM2 2990/4885

“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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