SCHEMBL15701697

SCHEMBL15701697

CCCCNCC1=Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL8729000 0.86 SIGMAR1 (0.45) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL29922720 0.78 HTR1A (0.49) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL7195698 0.78 HTR1A (0.49) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL5613920 0.77 HTR2A (0.48) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL29922564 0.76 HTR2A (0.47) ACHEHTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL2276204 0.75 ACHE (0.47) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL1539753 0.74 HTR1A (0.51) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL27440472 0.72 ACHE (0.51) ACHEHTR1AHTR2AHTR7DRD3
Hexane SCHEMBL28294030 0.71 ALDH1A1 (0.42) ACHEHTR1AHTR2AHTR7DRD3
SCHEMBL23192186 0.71 SIGMAR1 (0.42) ACHEHTR1AHTR2AHTR7DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 ACHE 4826/4885HTR1A 4644/4885HTR2A 3721/4885

“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.