SCHEMBL6428348

SCHEMBL6428348

CCOC(=O)c1cnn(-c2ccc3nc(C)ccc3c2)c1CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.45
GUCY1A1 Q02108 2/20 0.43
GUCY1B1 Q02153 2/20 0.43
NR4A3 Q92570 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.42
FGFR2 P21802 1/20 0.41
TRPC1 P48995 1/20 0.40
TRPC3 Q13507 1/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
STIM2 Q9P246 1/20 0.40

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
SCHEMBL6314248 0.87 NR4A3 (0.59) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL6428367 0.85 HPGD (0.47) ALDH1A1RAB9ATSHRSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6319220 0.81 SLC9A1 (0.45) RAB9ASMN1; SMN2NR4A3NPC1FGFR2
Hydrochloric Acid SCHEMBL6319211 0.79 HSD11B1 (0.40) ALDH1A1RAB9ASMN1; SMN2NR4A3MAPT
SCHEMBL13887595 0.77 NR4A3 (0.72) ALDH1A1RAB9ATSHRSMN1; SMN2HTT
SCHEMBL6314449 0.77 HPGD (0.46) ALDH1A1RAB9ATSHRSMN1; SMN2MEN1
SCHEMBL6181487 0.76 ALDH1A1 (0.56) ALDH1A1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL16398256 0.74 ALDH1A1 (0.50) ALDH1A1RAB9ATSHRSMN1; SMN2MEN1
SCHEMBL6178406 0.74 ALDH1A1 (0.54) ALDH1A1RAB9ATSHRSMN1; SMN2MEN1
SCHEMBL6314813 0.73 RAB9A (0.49) ALDH1A1RAB9ATSHRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 ALDH1A1 642/4885RAB9A 2117/4885TSHR 2528/4885

“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.