SCHEMBL4173183

SCHEMBL4173183

Clc1ccc(CCN2CCN(CCc3ccncc3)CC2)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.78
CYP1A2 P05177 3/20 0.69
CYP2D6 P10635 2/20 0.69
TMEM97 Q5BJF2 1/20 0.69
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53

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
Bromide SCHEMBL4168906 0.98 SIGMAR1 (0.76) SIGMAR1CYP1A2CYP2D6TMEM97TDP1
SCHEMBL4169180 0.85 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL8306739 0.83 CYP1A2 (0.67) SIGMAR1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL16026648 0.83 HRH3 (0.84) SIGMAR1CYP1A2TDP1L3MBTL1HRH3
SCHEMBL467155 0.82 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97CYP3A4
SCHEMBL29472420 0.82 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97CYP3A4
Hydrochloric Acid SCHEMBL30570469 0.81 SIGMAR1 (0.97) SIGMAR1CYP1A2CYP2D6TMEM97CYP3A4
Hydrochloric Acid SCHEMBL2727622 0.81 SIGMAR1 (0.97) SIGMAR1CYP1A2CYP2D6TMEM97CYP3A4
SCHEMBL7528803 0.81 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97HTR1A
SCHEMBL5804316 0.80 SIGMAR1 (0.93) SIGMAR1CYP1A2CYP2D6TMEM97CYP3A4

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-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US claimed
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
EP-1981849-A1 HETEROCYCLIC COMPOUNDS LEK Pharmaceuticals D.D. (SI) 2008-10-22 EP disclosed
WO-2007073935-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2007-07-05 WO disclosed
WO-2007073935-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2007-07-05 WO 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-20090018118-A1 HETEROCYCLIC COMPOUNDS CYP51A1, DHCR7, LSS SIGMAR1 1948/4885CYP1A2 110/4885CYP2D6 113/4885

“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.