SCHEMBL15345101

SCHEMBL15345101

Cc1ccc2c(N3CCN(C)CC3)nn(C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.52
HRH3 Q9Y5N1 1/20 0.47
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
KDM4E B2RXH2 3/20 0.44
TP53 P04637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KHK P50053 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADRB2 P07550 1/20 0.40
MAT2A P31153 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ACHE P22303 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
SCHEMBL15345084 0.88 HRH4 (0.52) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL15333992 0.83 HRH4 (0.53) HRH4HRH3HTR3EHTR3BHTR3A
SCHEMBL15341797 0.81 HTR6 (0.40) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL10416166 0.79 HTR3E (0.53) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL4785947 0.79 CHEK1 (0.45) HRH4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9778455 0.78 HTR3E (0.51) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL4782350 0.77 CHEK1 (0.44) HRH4HTR3EHTR3BHTR3AHTR3D
Lithium Ion SCHEMBL4782345 0.76 CYP3A4 (0.40) HRH4KDM4ETP53ALDH1A1TSHR
SCHEMBL4785283 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDTSHRNPC1
SCHEMBL27323951 0.76 DDB1 (0.49) HRH4KDM4ETP53ALDH1A1HPGD

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 HRH4 2403/4885HRH3 2143/4885HTR3E 3160/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HRH4 2403/4885HRH3 2143/4885HTR3E 3160/4885

“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.