SCHEMBL14239489

SCHEMBL14239489

c1ccc(CCN2CCC(c3nc(-n4ccc5cccnc54)no3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.42
DRD3 P35462 3/20 0.42
DRD2 P14416 3/20 0.42
PRCP P42785 7/20 0.42
NR1H4 Q96RI1 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
ACHE P22303 1/20 0.39
CCR3 P51677 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
SCHEMBL27963963 0.80 EPHX2 (0.42) CYP3A4TSHR
SCHEMBL28811986 0.79 SMO (0.33) NR1H4CYP3A4ALDH1A1
SCHEMBL14239490 0.78 NR1H4 (0.46) NR1H4ALDH1A1ACHE
SCHEMBL28811987 0.76 CNR2 (0.36) ALDH1A1
SCHEMBL14158342 0.72 GPR119 (0.47)
SCHEMBL15487169 0.67 HTR4 (0.40) DRD4DRD3DRD2
SCHEMBL15488468 0.67 PSEN1 (0.38) DRD4DRD3DRD2CYP2D6
SCHEMBL9374358 0.64 SIGMAR1 (0.81) DRD2CYP1A2CYP3A4TSHRMEN1
SCHEMBL22538454 0.63 CDC7 (0.57) CYP3A4TSHRCYP2D6
SCHEMBL10638075 0.63 DRD2 (0.56) DRD4DRD3DRD2CYP1A2CYP3A4

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-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO 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-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF HTR4, HTR3B, HTR3A DRD4 41/4885DRD3 63/4885DRD2 37/4885

“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.