SCHEMBL3522208

SCHEMBL3522208

Clc1ccc2c(c1)N1CCCC=C1c1ccccc1S2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.40
CYP2C19 P33261 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
HTR1A P08908 3/20 0.40
ADRA2A P08913 3/20 0.40
DRD2 P14416 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
SLC6A2 P23975 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
SLC6A4 P31645 3/20 0.40
ADRA1A P35348 3/20 0.40
HRH1 P35367 3/20 0.40
DRD3 P35462 3/20 0.40
OPRK1 P41145 3/20 0.40
HTR2B P41595 3/20 0.40

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
SCHEMBL3521538 0.74 DRD2 (0.49) CYP2D6CYP2C19NPSR1LMNACYP1A2
SCHEMBL3522109 0.69 BCHE (0.41) LMNATP53MAPTMEN1ALDH1A1
SCHEMBL3520212 0.69 TP53 (0.46) LMNASLC6A3TP53MAPTMEN1
SCHEMBL10923052 0.66 BCHE (0.56) CYP2D6CYP2C19NPSR1LMNACYP1A2
SCHEMBL19537670 0.65 HPGD (0.56) CYP2D6CYP2C19NPSR1LMNACYP1A2
SCHEMBL11580181 0.65 CYP2D6 (0.39) CYP2D6CYP2C19NPSR1LMNACYP1A2
SCHEMBL21449095 0.64 BCHE (0.54) CYP2D6CYP2C19NPSR1LMNACYP1A2
SCHEMBL21449139 0.64 BCHE (0.57) CYP2D6CYP2C19NPSR1LMNACYP1A2
SCHEMBL628328 0.64 MAOA (0.68) CYP2D6CYP2C19NPSR1LMNACYP1A2
SCHEMBL23954120 0.63 HPGD (0.53) CYP2D6CYP2C19NPSR1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737136-B2 Non-steroidal progesterone receptor modulators N.V. ORGANON (NL) 2010-06-15 US disclosed
EP-1495030-B1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS ORGANON NV (NL) 2008-08-13 EP disclosed
US-20050171087-A1 Non-steroidal progesterone receptor modulators MERCK SHARP & DOHME B.V. (NL) 2005-08-04 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 (1 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-20050171087-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 CYP2D6 225/4885CYP2C19 76/4885NPSR1 45/4885

“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.