SCHEMBL14706783

SCHEMBL14706783

CC(C)Cc1nncn1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ CNOT7 Q9UIV1 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ VCP P55072 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL28483746 0.84 P2RX7 (0.44) LMNAKMT2AMEN1
SCHEMBL16062844 0.83 RECQL (0.48) LMNAKMT2AHTTALDH1A1CNOT7
SCHEMBL14203994 0.72 HTT (0.47) KMT2AHTTALDH1A1CNOT7ADORA2A
SCHEMBL28477056 0.71 MAPK1 (0.49) LMNAKMT2AMEN1ALDH1A1VCP
SCHEMBL17544854 0.71 SIGMAR1 (0.44) LMNAPOLB
SCHEMBL16903654 0.67 MAOB (0.55) LMNAKMT2AMEN1
SCHEMBL29238319 0.65 HTR1A (0.42) LMNAALDH1A1TDP1POLB
SCHEMBL6547318 0.65 SIGMAR1 (0.54) KMT2AMEN1ADORA2A
SCHEMBL10719904 0.64 SIGMAR1 (0.44) LMNAHTTCNOT7POLB
Isobutylbenzene SCHEMBL7493657 0.63 SIGMAR1 (0.64) LMNAADORA2A

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-8835470-B2 Mandelamide heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 — — US disclosed
US-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-02-21 — — 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-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 LMNA 3356/4885KMT2A 3139/4885MEN1 172/4885

“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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