SCHEMBL3726672

SCHEMBL3726672

Cc1ccc(N(N)CCc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.58
HIF1A Q16665 2/20 0.53
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
RECQL P46063 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
HRH1 P35367 2/20 0.47
TSHR P16473 3/20 0.45
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6227307 0.78 NPSR1 (0.55) NPSR1HIF1ACYP2D6CYP2C9CYP2C19
SCHEMBL14854700 0.77 KMT2A (0.37) NPSR1HIF1AKDM4ETDP1POLB
SCHEMBL989858 0.75 AOC3 (0.55) CYP2C19CYP1A2TDP1TAAR1
SCHEMBL31612496 0.74 NPSR1 (1.00) NPSR1HIF1ACYP2D6CYP2C9CYP2C19
SCHEMBL15489522 0.73 CYP2C19 (0.55) NPSR1CYP2C19TDP1ALDH1A1MAPT
SCHEMBL7355640 0.73 NPSR1 (0.64) NPSR1HIF1ACYP2D6CYP2C9CYP2C19
SCHEMBL10501002 0.72 HRH1 (0.52) NPSR1CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL14433130 0.72 HRH1 (0.52) NPSR1CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL229256 0.72 KDM4E (0.58) NPSR1CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL31059181 0.72 KDM4E (0.68) NPSR1HIF1ACYP2D6CYP2C9CYP2C19

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-20100137215-A1 NOVEL TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES CONCERT PHARMACEUTICALS INC. 2010-06-03 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-20100137215-A1 NOVEL TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES HTR6, TPH1, HNMT NPSR1 239/4885HIF1A 3677/4885CYP2D6 315/4885

“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.