SCHEMBL14947355

SCHEMBL14947355

CN1CCc2ccc(S(=O)(=O)NCC[C@@H]3CCCN3C)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HTR7 P34969 4/20 0.42
PDE5A O76074 1/20 0.42
METAP2 P50579 1/20 0.40
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL5630601 0.88 HTR7 (0.45) TSHRALDH1A1GLAPOLBDRD2
SCHEMBL2400927 0.86 HRH3 (0.46) TSHRALDH1A1HTR7TP53
SCHEMBL1241268 0.86 HRH3 (0.46) TSHRALDH1A1HTR7TP53
SCHEMBL5629084 0.85 SMN1; SMN2 (0.47) TSHRALDH1A1HTR7TP53
Water SCHEMBL16161850 0.85 HRH3 (0.46) TSHRALDH1A1HTR7TP53
SCHEMBL14244325 0.85 ESR1 (0.46) TSHRALDH1A1PDE5AMETAP2HTT
SCHEMBL5632462 0.85 HTR7 (0.42) TSHRALDH1A1GLAPOLBHTR2C
SCHEMBL2456982 0.85 ESR1 (0.46) TSHRALDH1A1PDE5AMETAP2HTT
SCHEMBL5630748 0.85 HTR7 (0.42) TSHRALDH1A1HTR7TP53
SCHEMBL2403756 0.84 PNMT (0.53) TSHRALDH1A1DRD2DRD3HTR2C

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-8748615-B2 Process for the preparation of 2-(cyclohexylmethyl)-N-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide SANOFI (FR) 2014-06-10 US disclosed
US-20130123302-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-05-16 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-20130123302-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SULT1E1, SULT2A1, STS TSHR 3886/4885ALDH1A1 1389/4885GLA 3702/4885

“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.