SCHEMBL3783137

SCHEMBL3783137

O=C1N(c2ccc(OCCN3CCCCC3)nc2)CCN1c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 1.00
HTR2B P41595 7/20 1.00
HTR2A P28223 7/20 1.00
SIGMAR1 Q99720 8/20 0.58
KCNH2 Q12809 1/20 0.57

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
SCHEMBL6411291 0.83 HTR2C (0.76) HTR2CHTR2BHTR2A
SCHEMBL6408932 0.82 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL6629013 0.80 HTR2C (0.66) HTR2CHTR2BHTR2AKCNH2
SCHEMBL467105 0.74 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL6408467 0.73 HTR2A (0.58) HTR2CHTR2BHTR2ASIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1895959 0.73 SIGMAR1 (0.98) SIGMAR1KCNH2
SCHEMBL467006 0.72 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL4899236 0.72 HTR2C (0.56) HTR2CHTR2BHTR2AKCNH2
SCHEMBL466940 0.72 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL28114577 0.72 KCNH2 (0.94) SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US claimed
US-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity GLAXO GROUP LIMITED (GB) 2005-07-14 US claimed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US disclosed
US-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity GLAXO GROUP LIMITED (GB) 2005-07-14 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 (3 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-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity HTR2C, HTR3C, HTR5A HTR2C 1/4885HTR2B 28/4885HTR2A 30/4885
US-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 HTR2C 1382/4885HTR2B 1585/4885HTR2A 3119/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 HTR2C 1382/4885HTR2B 1585/4885HTR2A 3119/4885

“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.