SCHEMBL4040369

SCHEMBL4040369

CN(C)CCCOCc1cc2c(s1)-c1cc(Cl)ccc1Sc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
DRD2 P14416 5/20 0.48
CYP1A2 P05177 5/20 0.48
CYP2D6 P10635 5/20 0.48
CYP2C19 P33261 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
CYP3A4 P08684 4/20 0.48
HTR1A P08908 4/20 0.48
DRD1 P21728 4/20 0.48
HRH1 P35367 4/20 0.48
DRD3 P35462 4/20 0.48
CHRM2 P08172 3/20 0.48
ADRA2A P08913 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
CHRM1 P11229 3/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
ADRA1A P35348 3/20 0.48
OPRM1 P35372 3/20 0.48
MC3R P41968 3/20 0.48

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
Hydrochloric Acid SCHEMBL4041643 0.99 LMNA (0.49) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4037224 0.94 DRD2 (0.52) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4041467 0.93 CYP3A4 (0.50) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL6335341 0.93 CYP3A4 (0.50) LMNADRD2CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4039786 0.93 LMNA (0.51) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4039594 0.90 MEN1 (0.39) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4041840 0.90 SMN1; SMN2 (0.40) LMNADRD2CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4037809 0.89 KMT2A (0.40) LMNADRD2CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4037443 0.89 RAD52 (0.41) LMNADRD2CYP1A2CYP2D6CYP2C19
SCHEMBL6331870 0.88 MEN1 (0.35) LMNADRD2CYP1A2CYP2D6CYP2C19

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
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 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 (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-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 LMNA 4275/4885DRD2 3054/4885CYP1A2 86/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 LMNA 4275/4885DRD2 3054/4885CYP1A2 86/4885

“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.