SCHEMBL694949

SCHEMBL694949

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.82
TMEM97 Q5BJF2 2/20 0.82
SLC6A12 P48065 2/20 0.82
MCHR1 Q99705 2/20 0.82
CYP1A2 P05177 1/20 0.82
CYP3A4 P08684 1/20 0.82
CYP2D6 P10635 1/20 0.82
CYP2C9 P11712 1/20 0.82
TSHR P16473 1/20 0.82
MAPK1 P28482 1/20 0.82
CYP2C19 P33261 1/20 0.82
DRD4 P21917 3/20 0.80
KMT2A Q03164 3/20 0.79
MEN1 O00255 2/20 0.79
KCNH2 Q12809 1/20 0.79
SLC6A13 Q9NSD5 1/20 0.74
POLB P06746 1/20 0.74
LMNA P02545 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
PRKAB2 O43741 1/20 0.73

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
SCHEMBL61848 0.94 TMEM97 (0.83) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL31736417 0.93 MCHR1 (0.77) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL9870172 0.92 MEN1 (0.78) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL2233466 0.92 KCNH2 (0.80) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL7218186 0.92 DRD4 (0.86) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL7694198 0.92 DRD2 (0.85) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL7694199 0.92 DRD2 (0.85) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL2233461 0.91 TMEM97 (0.77) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL8274001 0.91 MEN1 (0.78) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL7224869 0.91 SIGMAR1 (0.77) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO disclosed
EP-1012147-B1 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
US-6200989-B1 ADMINISTERING AS UROKINASE PLASMINOGEN ACTIVATOR ANTAGONISTS, ANTITUMOR AND ANTIMETASTASIS AGENTS HOFFMANN-LA ROCHE INC. 2001-03-13 US disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
EP-0880512-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1998-12-02 EP disclosed
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 WO disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed
WO-1997028141-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed
US-5028616-A Antiarrhythmia Agents G. D. SEARLE & CO. (US) 1991-07-02 US disclosed
EP-0008014-A1 1-(4-Aminopiperidino)-3.4-dihydroisoquinoline derivatives, processes for their preparation, pharmaceutical compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1980-02-20 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 SIGMAR1 3798/4885TMEM97 4636/4885SLC6A12 3089/4885
US-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D SIGMAR1 534/4885TMEM97 501/4885SLC6A12 2819/4885

“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.