SCHEMBL21138801

SCHEMBL21138801

O=C(CC1CCCCC1)NNc1nccnc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.58
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
EPHX2 P34913 3/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.41
EPHX1 P07099 1/20 0.41
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL19458538 0.82 P2RX7 (0.39) P2RX7
SCHEMBL19917032 0.78 MAPT (0.52) P2RX7HPGDNPC1RAB9AKMT2A
SCHEMBL21138231 0.77 GAA (0.53) P2RX7HPGDNPC1RAB9AKMT2A
SCHEMBL21138871 0.75 GAA (0.54) P2RX7HPGDNPC1RAB9APOLB
SCHEMBL21138247 0.74 ALDH1A1 (0.44) P2RX7HPGDRECQLNPC1RAB9A
SCHEMBL21159382 0.74 HPGD (0.45) HPGDRECQLKMT2AMEN1POLB
SCHEMBL739236 0.73 P2RX7 (0.43) P2RX7HPGDRECQLNPC1RAB9A
SCHEMBL749460 0.73 P2RX7 (0.46) P2RX7HPGDRECQLNPC1RAB9A
SCHEMBL21138268 0.70 GAA (0.35) HPGDNPC1RAB9AKMT2AGAA
SCHEMBL21138376 0.70 GAA (0.36) HPGDNPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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 (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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A P2RX7 95/4885HPGD 252/4885RECQL 1566/4885

“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.