SCHEMBL4931129

SCHEMBL4931129

COc1c(OCCN(C)C)cc(Cl)cc1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.48
DRD4 P21917 1/20 0.48
RPS6KB1 P23443 1/20 0.43
MAPT P10636 1/20 0.40
SUV39H2 Q9H5I1 3/20 0.40
HTR6 P50406 4/20 0.39
ADRB1 P08588 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
Hydrochloric Acid SCHEMBL4930610 0.84 RPS6KB1 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4931701 0.76 HTR2C (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1792704 0.74 RPS6KB1 (0.59) RPS6KB1
SCHEMBL4930340 0.74 RPS6KB1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5363138 0.73 HTR1A (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4929003 0.72 MAPT (0.50) HTR2AMAPTCYP2C19
SCHEMBL14647153 0.72 HTR6 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4929156 0.71 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL15703234 0.71 HTR6 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4930154 0.71 RPS6KB1 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C

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-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 HTR3E 989/4885HTR3B 1054/4885HTR3A 1634/4885

“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.