SCHEMBL14368692

SCHEMBL14368692

CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ SLC6A5 Q9Y345 1/20 0.45
▸ SSTR3 P32745 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SRC P12931 1/20 0.43

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
SCHEMBL14392688 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL27778441 0.88 CCR3 (0.48) KMT2AALDH1A1RAB9AHPGDLMNA
SCHEMBL14368724 0.88 CCR3 (0.48) KMT2AALDH1A1RAB9AHPGDLMNA
SCHEMBL14368703 0.85 CHRNA7 (0.51) KMT2AALDH1A1RAB9AMAPTKDM4E
SCHEMBL14368669 0.85 SSTR3 (0.55) RAB9ASSTR3
SCHEMBL14368700 0.85 CCR3 (0.48) KMT2AALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL27757300 0.85 CHRNA7 (0.51) KMT2AALDH1A1RAB9AMAPTKDM4E
SCHEMBL14392754 0.85 CCR3 (0.48) KMT2AALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL14392352 0.85 CHRNA7 (0.51) KMT2AALDH1A1RAB9AMAPTKDM4E
SCHEMBL27757345 0.85 SSTR3 (0.55) RAB9ASSTR3

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-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 MEN1 2497/4885KMT2A 3736/4885ALDH1A1 1047/4885

“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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