SCHEMBL15380544

SCHEMBL15380544

CC(C)(C)C1CC(Oc2ccc(N)cc2)CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 5/20 0.36
▸ CHRM2 P08172 4/20 0.36
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2B Q13224 3/20 0.34
▸ SENP8 Q96LD8 2/20 0.33
▸ SENP6 Q9GZR1 2/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ NR1H2 P55055 1/20 0.32

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
SCHEMBL15380389 0.84 KDM4E (0.41) ALDH1A1LMNATDP1MCL1
SCHEMBL15380826 0.78 FAAH (0.46) GRIN1GRIN2BALDH1A1LMNATDP1
SCHEMBL8536867 0.75 CCR5 (0.40) CHRM3CHRM2ALDH1A1GPR119
SCHEMBL4101596 0.75 GPR119 (0.53) GRIN1GRIN2BHRH3GPR119KCNH2
SCHEMBL29163837 0.75 UCHL1 (0.31) —
SCHEMBL18065352 0.73 HPGD (0.38) ALDH1A1LMNATDP1
SCHEMBL28053867 0.73 OPRK1 (0.41) CHRM3CHRM2OPRK1KCNH2
SCHEMBL4111964 0.72 APP (0.42) ACACB
SCHEMBL6136539 0.71 ALDH1A1 (0.38) ALDH1A1TDP1MCL1
SCHEMBL6136535 0.71 ALDH1A1 (0.38) ALDH1A1TDP1MCL1

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-9187472-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-11-17 — — US disclosed
US-20130303511-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 — — 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-20130303511-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT CHRM3 3986/4885CHRM2 4043/4885GRIN1 864/4885

“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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