SCHEMBL13610835

SCHEMBL13610835

CCCNc1ncncc1C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
CHRNA7 P36544 4/20 0.39
POLB P06746 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CYP3A4 P08684 5/20 0.37
ALOX15 P16050 3/20 0.37
CYP1A2 P05177 3/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 2/20 0.36
HCAR3 P49019 1/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
KDR P35968 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL13610815 0.87 CYP3A4 (0.36) HSD17B10ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL13623638 0.71 CYP3A4 (0.37) HSD17B10ALDH1A1KDM4EHPGDCHRNA7
SCHEMBL8580209 0.69 DGAT1 (0.33) KDM4ECYP3A4CYP1A2TDP1LMNA
SCHEMBL29695736 0.69 ALDH1A1 (0.43) HSD17B10ALDH1A1KDM4EHPGDPOLB
SCHEMBL12348408 0.67 ALDH1A1 (0.44) HSD17B10ALDH1A1KDM4EHPGDPOLB
SCHEMBL11584012 0.67 AGTR1 (0.47) HSD17B10ALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL8566193 0.66 SYK (0.34) KDM4ESYK
SCHEMBL13610837 0.66 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHTTHCAR3
SCHEMBL13610833 0.66 HCAR3 (0.70) ALDH1A1HPGDCHRNA7HCAR3LMNA
SCHEMBL18773446 0.65 ALDH1A1 (0.45) HSD17B10ALDH1A1KDM4EHPGDPOLB

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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 HSD17B10 1838/4885ALDH1A1 2368/4885KDM4E 2974/4885

“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.