SCHEMBL13041632

SCHEMBL13041632

CC(C)N1C(=O)N(C2CC2)Cc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ C5AR1 P21730 7/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ GRM1 Q13255 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ PDE4A P27815 3/20 0.33

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
SCHEMBL13041624 0.77 C5AR1 (0.47) PARP1PARP2C5AR1ALDH1A1RAMP1
SCHEMBL13041636 0.72 C5AR1 (0.45) PARP1PARP2C5AR1ALDH1A1POLB
SCHEMBL12339193 0.72 USP1 (0.38) HTR2AHTR2CHTR2B
SCHEMBL13019291 0.71 MTNR1A (0.38) HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL3728481 0.70 IDH1 (0.43) IDH1CALCRL
SCHEMBL14410176 0.69 PARP1 (0.47) IDH1PARP1PARP2MAPK1RAMP1
SCHEMBL14085368 0.69 IDH1 (0.36) IDH1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL30321069 0.68 ALDH1A1 (0.43) IDH1PARP1PARP2ALDH1A1POLB
SCHEMBL17244887 0.66 HRH1 (0.36) HTR2AHTR2CHTR2BLMNASMN1; SMN2
SCHEMBL12080852 0.66 HTR2A (0.39) IDH1HTR2AHTR2CHTR2BPARP1

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 IDH1 3132/4885HTR2A 2572/4885HTR2C 2158/4885

“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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