SCHEMBL801367

SCHEMBL801367

CNC1CCC(c2ccc(Cl)c(C)c2)c2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.80
MEN1 O00255 4/20 0.80
KMT2A Q03164 4/20 0.80
SLC6A2 P23975 4/20 0.80
SLC6A4 P31645 4/20 0.80
SLC6A3 Q01959 4/20 0.80
CYP1A2 P05177 3/20 0.80
CYP2C19 P33261 3/20 0.80
NPC1 O15118 2/20 0.80
CYP2D6 P10635 2/20 0.80
MTOR P42345 2/20 0.80
RAB9A P51151 2/20 0.80
MLNR O43193 1/20 0.80
NR1I2 O75469 1/20 0.80
ABCB11 O95342 1/20 0.80
ESR1 P03372 1/20 0.80
CHRM2 P08172 1/20 0.80
CHRM4 P08173 1/20 0.80
ABCB1 P08183 1/20 0.80
ADRB1 P08588 1/20 0.80

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
SCHEMBL2615190 1.00 CYP3A4 (0.80) CYP3A4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL12562873 0.89 CYP3A4 (0.80) CYP3A4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL22877398 0.89 CYP3A4 (0.80) CYP3A4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL22678743 0.89 CYP3A4 (0.80) CYP3A4MEN1KMT2ASLC6A2SLC6A4
Sertraline SCHEMBL3885286 0.89 MEN1 (1.00) CYP3A4MEN1KMT2ASLC6A2SLC6A4
Sertraline SCHEMBL137619 0.89 MEN1 (1.00) CYP3A4MEN1KMT2ASLC6A2SLC6A4
Sertraline SCHEMBL3947169 0.89 MEN1 (1.00) CYP3A4MEN1KMT2ASLC6A2SLC6A4
Sertraline SCHEMBL7922153 0.89 MEN1 (1.00) CYP3A4MEN1KMT2ASLC6A2SLC6A4
Sertraline SCHEMBL3856872 0.89 MEN1 (1.00) CYP3A4MEN1KMT2ASLC6A2SLC6A4
Sertraline SCHEMBL14028076 0.89 MEN1 (1.00) CYP3A4MEN1KMT2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000926-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-01-07 US disclosed
US-20160000926-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-01-07 US disclosed
US-20140171383-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS The Regents of the Univeristy of Colorado, a body corporate 2014-06-19 US disclosed
US-20140171383-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS The Regents of the Univeristy of Colorado, a body corporate 2014-06-19 US disclosed
US-20120071432-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2012-03-22 US disclosed
US-20120071432-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2012-03-22 US disclosed
US-20090209480-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-08-20 US disclosed
US-20090209480-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-08-20 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 (4 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-20090209480-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS INA, BDNF, PMP22 CYP3A4 4102/4885MEN1 1319/4885KMT2A 914/4885
US-20120071432-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS PMP22, INA, SMN1; SMN2 CYP3A4 4518/4885MEN1 909/4885KMT2A 1104/4885
US-20140171383-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS INA, BDNF, PMP22 CYP3A4 4102/4885MEN1 1319/4885KMT2A 914/4885
US-20160000926-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS INA, BDNF, PMP22 CYP3A4 4102/4885MEN1 1319/4885KMT2A 914/4885

“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.