SCHEMBL3265308

SCHEMBL3265308

CCCCNCc1ccnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
SLC2A1 P11166 3/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
S1PR2 O95136 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FERMT2 Q96AC1 1/20 0.42
UTS2R Q9UKP6 2/20 0.42
CASP6 P55212 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 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
SCHEMBL15826444 0.94 S1PR2 (0.52) LOXL2SLC2A1HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL17260150 0.93 SLC2A1 (0.52) LOXL2SLC2A1HTR1AADRA1DADRA1A
SCHEMBL1040581 0.83 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL24197399 0.83 LOXL2 (0.50) LOXL2SLC2A1HTR1AADRA1DADRA1A
SCHEMBL11935003 0.82 LOXL2 (0.54) LOXL2SLC2A1HTR1AADRA1DADRA1A
SCHEMBL19563549 0.81 HTR1A (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL24197400 0.80 GAA (0.50) LOXL2SLC2A1HTR1AADRA1DADRA1A
SCHEMBL30331546 0.80 GAA (0.50) LOXL2SLC2A1HTR1AADRA1DADRA1A
SCHEMBL2448680 0.80 HRH3 (0.57) SLC2A1LMNASMN1; SMN2NPSR1KCNH2
SCHEMBL2237676 0.78 LOXL2 (0.56) LOXL2HTR1AADRA1DADRA1AADRA1B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170175-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN BAUSCH & LOMB INCORPORATED (US) 2012-12-13 WO disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS, S.A. (ES) 2012-01-05 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA LOXL2 3999/4885SLC2A1 1019/4885HTR1A 71/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 LOXL2 3899/4885SLC2A1 4225/4885HTR1A 1818/4885

“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.