SCHEMBL2124331

SCHEMBL2124331

Cc1c(C[C@]2(C(C)(C)C)CCCCN2C(=O)O)nc2ccccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC27A1 Q6PCB7 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TOP2A P11388 1/20 0.35
HTT P42858 1/20 0.34
SSTR4 P31391 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2123540 0.89 KMT2A (0.34) ALDH1A1GAAKMT2AMAPK1SMN1; SMN2
SCHEMBL2512523 0.84 SMN1; SMN2 (0.38) ALDH1A1GAAKMT2ASMN1; SMN2CYP1A2
SCHEMBL2120890 0.83 HCRTR1 (0.33) KMT2ATSHRSSTR5
SCHEMBL2121709 0.78 KDM4E (0.45) ALDH1A1GAAKMT2ASMN1; SMN2CYP1A2
SCHEMBL2517435 0.77 SMN1; SMN2 (0.36) ALDH1A1GAAKMT2ASMN1; SMN2CYP1A2
SCHEMBL2124400 0.77 SMN1; SMN2 (0.36) ALDH1A1GAAKMT2ASMN1; SMN2CYP1A2
SCHEMBL2122677 0.75 CYP11B1 (0.36) CYP2C9CYP2C19
SCHEMBL311517 0.74 AKT1 (0.31)
SCHEMBL2124844 0.74 AKT1 (0.32) SSTR5
SCHEMBL2122874 0.73 HCRTR1 (0.35) ALDH1A1KMT2ATSHR

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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 ALDH1A1 761/4885GAA 1887/4885KMT2A 915/4885

“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.