SCHEMBL3079170

SCHEMBL3079170

O=C(c1ccccc1)N1CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
LMNA P02545 1/20 0.71
BAZ2B Q9UIF8 1/20 0.71
CFTR P13569 3/20 0.70
MTHFD2 P13995 1/20 0.65
CDK4 P11802 6/20 0.62
CCND1 P24385 6/20 0.62
TAAR1 Q96RJ0 1/20 0.61
GAA P10253 1/20 0.60
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP1 P29466 1/20 0.59
ATM Q13315 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL6492381 0.90 CDK4 (0.63) MAPTLMNABAZ2BCFTRMTHFD2
SCHEMBL12868422 0.90 CDK4 (0.77) MAPTLMNABAZ2BCFTRMTHFD2
SCHEMBL6335099 0.89 CDK4 (0.76) CDK4CCND1
SCHEMBL28468258 0.87 MAPT (0.77) MAPTLMNABAZ2BCFTRTAAR1
SCHEMBL3094630 0.87 BAZ2B (0.61) MAPTLMNABAZ2BCFTRCDK4
SCHEMBL12868451 0.86 FAAH (0.61) MAPTLMNABAZ2BCFTRMTHFD2
SCHEMBL19965770 0.86 SIGMAR1 (0.56) MAPTLMNABAZ2BCFTRMTHFD2
SCHEMBL31117575 0.85 TRPV1 (0.68) MAPTLMNABAZ2BCFTRCDK4
SCHEMBL31117415 0.85 BAZ2B (0.72) MAPTLMNABAZ2BCFTRCDK4
SCHEMBL11844405 0.84 MTHFD2 (0.88) MAPTLMNABAZ2BCFTRMTHFD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US disclosed
US-7714132-B2 Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-05-11 US disclosed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 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 (2 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-20100234396-A1 Tetrhydropyridoindole Derivatives TPH2, TPH1, HTR5A MAPT 375/4885LMNA 3190/4885BAZ2B 2653/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C MAPT 155/4885LMNA 3204/4885BAZ2B 2859/4885

“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.