SCHEMBL10061674

SCHEMBL10061674

C=C1Nc2ccc(N3CCN(C)CC3)cc2CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
PTK2B Q14289 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
ADRA2C P18825 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39
ESR2 Q92731 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 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
SCHEMBL10061742 0.86 SLC6A2 (0.41) KDM4EMAPTMAPK1HTTKMT2A
SCHEMBL10061688 0.75 GAA (0.44) HTR3AKDM4EGAAMAPTPTK2B
SCHEMBL10061667 0.75 CDK5 (0.44) HTR3AKDM4EGAAMAPTPTK2B
SCHEMBL10061730 0.74 KDM4E (0.44) HTR3AKDM4EGAAMAPTPTK2B
SCHEMBL10061682 0.74 OPRM1 (0.41) HTR3AKDM4EGAAMAPTPTK2B
SCHEMBL10061747 0.73 GAA (0.42) HTR3AKDM4EGAAMAPTPTK2B
SCHEMBL14804034 0.70 HPGD (0.37) KDM4EGAAMAPTRECQLSMN1; SMN2
SCHEMBL17021496 0.70 PDE3B (0.52) HTR3AKDM4EGAAMAPTPTK2B
SCHEMBL31599423 0.68 GAA (0.49) HTR3AKDM4EGAAMAPTPTK2B
Hydrochloric Acid SCHEMBL5027620 0.67 HTR3A (0.46) HTR3AKDM4EGAAMAPTPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 HTR3A 3476/4885KDM4E 2464/4885GAA 539/4885

“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.