SCHEMBL15344982

SCHEMBL15344982

Cc1cncc(N2CCN(C(C)C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
TLR9 Q9NR96 3/20 0.37
TLR8 Q9NR97 3/20 0.37
TLR7 Q9NYK1 2/20 0.37
ACVR1 Q04771 2/20 0.37
TGFBR1 P36897 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL15341962 0.81 HRH3 (0.45) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL15332863 0.81 HTR2A (0.58) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL2401439 0.80 HTR3A (0.58) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL9885016 0.80 PDE10A (0.47) KDM4EALDH1A1HTR3EHTR3BHTR3A
SCHEMBL23759588 0.79 HRH3 (0.65) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL12677961 0.78 CRHBP (0.49) KDM4EALDH1A1HTR3EHTR3BHTR3A
SCHEMBL12988893 0.78 CHRM4 (0.41) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL1713997 0.77 KMT2A (0.40) KDM4EALDH1A1HTR3EHTR3BHTR3A
SCHEMBL3366951 0.76 HTR2A (0.53) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL15854633 0.76 CYP11B1 (0.39) KDM4EALDH1A1HTR3EHTR3BHTR3A

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 HRH3 2143/4885KDM4E 4221/4885ALDH1A1 355/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HRH3 2143/4885KDM4E 4221/4885ALDH1A1 355/4885

“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.