SCHEMBL791317

SCHEMBL791317

NCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.69
OPRM1 P35372 1/20 0.68
OPRK1 P41145 1/20 0.68
SLC6A4 P31645 17/20 0.67
HTR1A P08908 16/20 0.67
HTR7 P34969 16/20 0.67
HTR6 P50406 16/20 0.67

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
SCHEMBL793144 0.97 DRD2 (0.71) DRD2OPRM1OPRK1SLC6A4HTR1A
SCHEMBL15064205 0.93 OPRM1 (0.71) DRD2OPRM1OPRK1SLC6A4HTR1A
SCHEMBL11224825 0.89 DRD2 (0.69) DRD2OPRM1OPRK1SLC6A4HTR1A
SCHEMBL791945 0.87 DRD2 (0.70) DRD2SLC6A4HTR1AHTR7HTR6
SCHEMBL10366941 0.86 OPRM1 (0.71) DRD2OPRM1OPRK1SLC6A4HTR1A
Tepirindole SCHEMBL635174 0.86 SLC6A4 (0.72) DRD2OPRM1OPRK1SLC6A4HTR1A
Tepirindole SCHEMBL11307437 0.86 SLC6A4 (0.72) DRD2OPRM1OPRK1SLC6A4HTR1A
Tepirindole SCHEMBL29710897 0.86 SLC6A4 (0.72) DRD2OPRM1OPRK1SLC6A4HTR1A
SCHEMBL7670608 0.84 OPRM1 (0.58) DRD2OPRM1OPRK1SLC6A4HTR1A
Hydrochloric Acid SCHEMBL11320856 0.84 OPRM1 (0.73) DRD2OPRM1OPRK1SLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120767-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z.O.O. (PL) 2015-09-01 US disclosed
US-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2014-11-13 US disclosed
US-8822517-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z O.O. (PL) 2014-09-02 US disclosed
EP-2616440-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES Adamed sp. z o.o. (PL) 2013-07-24 EP disclosed
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 US disclosed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 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 (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-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885OPRM1 2989/4885OPRK1 1977/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885OPRM1 2989/4885OPRK1 1977/4885

“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.