SCHEMBL1007945

SCHEMBL1007945

NNCc1ccc(C(=O)N2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.61
ALDH1A1 P00352 8/20 0.61
MAPT P10636 3/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
KMT2A Q03164 1/20 0.54
NAMPT P43490 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK10 P53779 1/20 0.52
GLA P06280 1/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL23095868 0.86 PHGDH (0.58) HPGDALDH1A1MAPTNAMPTL3MBTL1
SCHEMBL255236 0.82 HPGD (0.65) HPGDALDH1A1MAPTCYP1A2POLB
SCHEMBL3814819 0.82 HPGD (0.65) HPGDALDH1A1MAPTCYP1A2POLB
SCHEMBL25710940 0.81 HPGD (0.68) HPGDALDH1A1MAPTCA12CA1
SCHEMBL23280349 0.80 SMN1; SMN2 (0.61) HPGDALDH1A1MAPTPOLBKMT2A
SCHEMBL10721733 0.80 HPGD (0.95) HPGDALDH1A1MAPTCA12CA1
SCHEMBL3814813 0.80 HPGD (0.61) HPGDALDH1A1MAPTCYP1A2POLB
SCHEMBL507164 0.79 HPGD (0.71) HPGDALDH1A1MAPTCA12CA1
SCHEMBL23840665 0.78 HPGD (0.63) HPGDALDH1A1MAPTCA12CA1
SCHEMBL7132525 0.78 HPGD (1.00) HPGDALDH1A1MAPTCA12CA1

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-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 HPGD 2564/4885ALDH1A1 614/4885MAPT 4623/4885

“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.