SCHEMBL12225473

SCHEMBL12225473

Cc1cc(N(C)C)cc(N[C@H]2CCNC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ BRD4 O60885 4/20 0.39
▸ ATAD2 Q6PL18 4/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ PLK4 O00444 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ HBB P68871 1/20 0.36

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
SCHEMBL2535679 0.82 HRH4 (0.45) HRH4HRH3HRH2BRD4ATAD2
SCHEMBL4920620 0.77 CDK2 (0.38) CCNT1CDK9LMNACYP1A2CYP2D6
SCHEMBL20281480 0.74 BRD4 (0.45) HRH4HRH3HRH2BRD4ATAD2
SCHEMBL20281605 0.74 BRD4 (0.45) HRH4HRH3HRH2BRD4ATAD2
SCHEMBL26198161 0.74 PLK4 (0.48) HRH4HRH3HRH2BRD4ATAD2
SCHEMBL20281481 0.74 BRD4 (0.45) HRH4HRH3HRH2BRD4ATAD2
SCHEMBL31687302 0.74 IRAK4 (0.51) HRH3BRD4ATAD2NRASFLT3
SCHEMBL15219256 0.74 CLK2 (0.44) HRH4HRH3HRH2BRD4ATAD2
Hydrochloric Acid SCHEMBL30457642 0.72 IRAK4 (0.50) HRH3BRD4ATAD2NRASFLT3
SCHEMBL15219279 0.71 HRH4 (0.61) HRH4HRH3HRH2BRD4ATAD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 — — US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 — — US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 — — US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 — — 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R HRH4 68/4885HRH3 323/4885HRH2 441/4885

“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.

Send feedback