SCHEMBL10071259

SCHEMBL10071259

CCCCC1CC1(C)NC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.46
CYP2C9 P11712 7/20 0.46
CYP2C19 P33261 7/20 0.46
CYP1A2 P05177 6/20 0.46
TSHR P16473 6/20 0.46
FAAH O00519 1/20 0.46
NAAA Q02083 1/20 0.46
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 2/20 0.42
HSD17B10 Q99714 1/20 0.40
P2RX7 Q99572 1/20 0.40
EZH2 Q15910 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL10071260 0.83 FAAH (0.46) CYP2C19FAAHMAPK1P2RX7EZH2
SCHEMBL544544 0.77 CYP2C19 (0.46) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL544684 0.75 CYP2C19 (0.44) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL668809 0.75 P2RX7 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL10071248 0.72 MAPK1 (0.63) CYP2C19FAAHMAPK1HSD17B10P2RX7
SCHEMBL668927 0.70 NAAA (0.53) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL1740252 0.70 MAPK1 (0.60) CYP2C19FAAHNAAAMAPK1HSD17B10
SCHEMBL10604425 0.69 ADRB2 (0.52) FAAHNAAAHSD17B10TRPV1HDAC3
SCHEMBL10604416 0.68 ADRB2 (0.51) NAAA
SCHEMBL10607231 0.67 NAAA (0.52) NAAA

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-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 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-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 CYP3A4 230/4885CYP2C9 1146/4885CYP2C19 839/4885

“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.