SCHEMBL6714918

SCHEMBL6714918

COc1ccc2cc[c]cc2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE10A Q9Y233 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
NNMT P40261 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
CLK1 P49759 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL194114 0.85 MTNR1A (0.34) MTNR1AMTNR1BPOLBTDP1PDE10A
SCHEMBL1450761 0.75 CYP1A2 (0.52) POLBKDM4ECYP1A2
SCHEMBL194247 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDNNMTL3MBTL1
SCHEMBL28617539 0.74 HTT (0.42) KDM4EALDH1A1HPGDCYP1A2KMT2A
SCHEMBL16751340 0.71 PDE10A (0.46) MTNR1AMTNR1BPOLBTDP1PDE10A
SCHEMBL621727 0.71 KDM4E (0.53) POLBKDM4EALDH1A1HPGDCYP1A2
SCHEMBL29392943 0.71 KDM4E (0.53) POLBKDM4EALDH1A1HPGDCYP1A2
SCHEMBL4067343 0.71 NCF1 (0.53) KDM4EHPGD
SCHEMBL4850106 0.70 MAPK1 (0.40) KDM4EALDH1A1HPGDCYP1A2KMT2A
SCHEMBL6232953 0.69 CRHBP (0.32)

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-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US disclosed
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 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 (2 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN MTNR1A 2822/4885MTNR1B 1434/4885POLB 1242/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MTNR1A 3189/4885MTNR1B 2041/4885POLB 2221/4885

“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.