SCHEMBL15345018

SCHEMBL15345018

Cc1ccc2c(cnn2C2CCN(C)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
FLT3 P36888 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
SCD O00767 5/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.36
HDAC8 Q9BY41 1/20 0.34
MAPT P10636 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVR1B P36896 1/20 0.34

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
SCHEMBL15341876 0.82 ALOX15 (0.43) ALOX15GAASMN1; SMN2HTR1AHTR1B
SCHEMBL13135671 0.74 SCD (0.56) ALOX15GAASMN1; SMN2HTR1AHTR1B
SCHEMBL15830330 0.73 HTR1A (0.55) ALOX15GAASMN1; SMN2HTR1AHTR1B
SCHEMBL3358945 0.72 ALOX15 (0.52) ALOX15GAASMN1; SMN2HTR1AHTR1B
SCHEMBL19127089 0.72 ALOX15 (0.46) ALOX15GAASMN1; SMN2HTR1AHTR1B
SCHEMBL26683794 0.72 HTR1A (0.46) ALOX15GAASMN1; SMN2HTR1AHTR1B
SCHEMBL13537597 0.70 HTR1A (0.52) ALOX15GAASMN1; SMN2HTR1AHTR1B
SCHEMBL7927906 0.70 HDAC8 (0.39) LMNAHDAC8TGFBR1
SCHEMBL31758051 0.70 HTR1A (0.54) ALOX15GAASMN1; SMN2HTR1AHTR1B
SCHEMBL3349663 0.70 HTR1B (0.54) ALOX15GAASMN1; SMN2HTR1AHTR1B

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 ALOX15 1063/4885GAA 42/4885SMN1; SMN2 1111/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ALOX15 1063/4885GAA 42/4885SMN1; SMN2 1111/4885

“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.