SCHEMBL19001030

SCHEMBL19001030

CC1CC(C)CN(c2ccc(C(C)(C)C)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
GRIN2B Q13224 1/20 0.39
MAPT P10636 5/20 0.38
HSD11B1 P28845 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
ACACB O00763 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOB P27338 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL19001116 1.00 CNR2 (0.49) CNR2HCRTR1HCRTR2GRIN2BMAPT
SCHEMBL26796035 0.93 CNR2 (0.42) CNR2HCRTR1HCRTR2GRIN2BMAPT
SCHEMBL26151690 0.85 HCRTR1 (0.43) CNR2HCRTR1HCRTR2GRIN2BMAPT
SCHEMBL14349205 0.84 MAPT (0.46) MAPTHRH3TRPV1KDM4EABL1
SCHEMBL21081457 0.84 HDAC1 (0.45) CNR2HCRTR1HCRTR2GRIN2BMAPT
SCHEMBL19001098 0.83 KMT2A (0.49) HCRTR1HCRTR2GRIN2BMAPTHSD11B1
SCHEMBL13658045 0.83 KMT2A (0.49) HCRTR1HCRTR2GRIN2BMAPTHSD11B1
SCHEMBL14349536 0.83 KMT2A (0.49) HCRTR1HCRTR2GRIN2BMAPTHSD11B1
SCHEMBL12139652 0.83 KMT2A (0.49) HCRTR1HCRTR2GRIN2BMAPTHSD11B1
SCHEMBL26151680 0.83 HCRTR1 (0.39) CNR2HCRTR1HCRTR2GRIN2BMAPT

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-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH CNR2 879/4885HCRTR1 1833/4885HCRTR2 1913/4885

“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.