SCHEMBL3577896

SCHEMBL3577896

O=C1C=C(Nc2cccc3cnc(Cl)cc23)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.44
TRPV1 Q8NER1 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
BRAF P15056 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GRM5 P41594 1/20 0.32
CHRM1 P11229 1/20 0.32
KDR P35968 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NPBWR1 P48145 1/20 0.31
C1R P00736 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3583696 0.93 TRPV1 (0.39) MT-CO2TRPV1MEN1KMT2AALDH1A1
SCHEMBL3220136 0.79 PDE4B (0.45) MT-CO2TRPV1MEN1KMT2AALDH1A1
SCHEMBL29565328 0.72 MT-CO2 (0.54) MT-CO2MEN1KMT2AALDH1A1MAPT
SCHEMBL24150857 0.70 TRPV1 (0.41) TRPV1ALDH1A1MAPTPOLBCHRM1
SCHEMBL17336651 0.68 TRPV1 (0.51) TRPV1KMT2AMAPTRAB9AKDR
SCHEMBL27663640 0.67 GAA (0.57) TRPV1MEN1KMT2AALDH1A1MAPT
SCHEMBL11816879 0.67 TRPV1 (0.50) TRPV1MEN1KMT2AALDH1A1MAPT
SCHEMBL7293217 0.66 ALDH1A1 (0.57) MT-CO2MEN1KMT2AALDH1A1MAPT
SCHEMBL28991557 0.66 MT-CO2 (0.49) MT-CO2MEN1KMT2AALDH1A1MAPT
SCHEMBL7291543 0.66 MT-CO2 (0.49) MT-CO2MEN1KMT2AALDH1A1MAPT

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
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
EP-2064212-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS Novartis AG (CH) 2009-06-03 EP disclosed
WO-2008025512-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-06 WO disclosed
WO-2008025512-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-06 WO 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 (1 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-20100069360-A1 ORGANIC COMPOUNDS SLCO1B3, CYP3A7, SLCO1B1 MT-CO2 3372/4885TRPV1 1046/4885MEN1 658/4885

“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.