SCHEMBL12758905

SCHEMBL12758905

Cc1cc(N2CC3(CCC3)C2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.48
▸ CYP2C9 P11712 6/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ CYP3A4 P08684 6/20 0.39
▸ UHRF1 Q96T88 1/20 0.38
▸ OGA O60502 1/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PRDM9 Q9NQV7 1/20 0.36
▸ PRDM7 Q9NQW5 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 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
SCHEMBL30306686 0.89 LRRK2 (0.47) TMEM97CYP2C9CYP2C19HIF1ACYP3A4
SCHEMBL12758920 0.82 TMEM97 (0.42) TMEM97CYP2C9CYP2C19HIF1ACYP3A4
SCHEMBL425041 0.77 HRH4 (0.56) UHRF1ALDH1A1HSD17B10MAPK1MEN1
SCHEMBL12758901 0.76 CYP17A1 (0.39) TMEM97CYP2C9CYP2C19HIF1ACYP3A4
SCHEMBL21186191 0.76 HRH4 (0.50) UHRF1MEN1KMT2APRDM9PRDM7
Water SCHEMBL28114608 0.75 HRH4 (0.54) UHRF1ALDH1A1HSD17B10MAPK1MEN1
SCHEMBL9455784 0.75 HRH4 (0.58) UHRF1TSHRALDH1A1MAPK1MEN1
SCHEMBL14996508 0.75 PRDM9 (0.42) TMEM97CYP2C9CYP2C19OGACYP2D6
SCHEMBL25506003 0.74 CYP2C9 (0.60) CYP2C9CYP2C19HIF1ACYP3A4CYP2D6
SCHEMBL20468944 0.74 ALDH1A1 (0.49) CYP2C9CYP2C19CYP3A4OGACYP2D6

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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 — — 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 TMEM97 535/4885CYP2C9 285/4885CYP2C19 258/4885

“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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