SCHEMBL20038232

SCHEMBL20038232

CC(C)CN1CCC(=O)N(c2ccc(I)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GPR55 Q9Y2T6 2/20 0.41
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PIK3CD O00329 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL20037524 0.90 NPC1 (0.35) NPC1RAB9AL3MBTL1GPR55HRH3
SCHEMBL20037522 0.90 NPC1 (0.35) NPC1RAB9AL3MBTL1GPR55HRH3
SCHEMBL20038056 0.89 PIK3CD (0.46) NPC1RAB9AL3MBTL1GPR55MAPT
SCHEMBL20037546 0.86 DRD3 (0.45) NPC1RAB9AL3MBTL1GPR55NPSR1
SCHEMBL20249324 0.83 NPC1 (0.42) NPC1RAB9AL3MBTL1GPR55NPSR1
SCHEMBL20038358 0.81 ALDH1A1 (0.36) MAPTMEN1KMT2A
SCHEMBL20038203 0.81 HRH3 (0.44) MAPTHRH3
SCHEMBL20038204 0.81 PIK3CA (0.34) KMT2AHRH3
SCHEMBL20255524 0.79 PIK3CD (0.35) HRH3PIK3CD
SCHEMBL20255269 0.78 HRH3 (0.37) HRH3

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
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 NPC1 3302/4885RAB9A 2154/4885L3MBTL1 3990/4885

“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.