SCHEMBL15344946

SCHEMBL15344946

Cc1cccc(N2CCN(C(C)C)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.67
HTR3B O95264 3/20 0.67
HTR3A P46098 3/20 0.67
HTR3D Q70Z44 3/20 0.67
HTR3C Q8WXA8 3/20 0.67
HRH3 Q9Y5N1 6/20 0.58
OGA O60502 1/20 0.56
KCNH2 Q12809 2/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD4 P21917 1/20 0.46
RECQL P46063 1/20 0.45
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL22163216 0.81 HRH3 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15341818 0.81 HRH3 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2127461 0.80 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1515249 0.80 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31415224 0.80 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4553876 0.80 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15725480 0.79 HRH3 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
Ammonia Solution, Strong SCHEMBL28472249 0.79 HTR3A (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6467644 0.78 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
Ammonia Solution, Strong SCHEMBL28500104 0.78 HTR3E (0.70) 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
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HTR3E 3160/4885HTR3B 2293/4885HTR3A 3742/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HTR3E 3160/4885HTR3B 2293/4885HTR3A 3742/4885

“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.