SCHEMBL2403756

SCHEMBL2403756

CN1CCC[C@H]1CCNS(=O)(=O)c1ccc2c(c1)CNCC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.53
HTR2C P28335 5/20 0.53
HTR2B P41595 4/20 0.53
TPSAB1 Q15661 1/20 0.48
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
PDE5A O76074 1/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 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
SCHEMBL1241177 1.00 PNMT (0.53) PNMTHTR2CHTR2BTPSAB1ADRA2A
Hydrochloric Acid SCHEMBL1242900 0.99 PNMT (0.52) PNMTHTR2CHTR2BTPSAB1ADRA2A
Hydrochloric Acid SCHEMBL2405913 0.99 PNMT (0.52) PNMTHTR2CHTR2BTPSAB1ADRA2A
SCHEMBL14947355 0.84 TSHR (0.45) HTR2CHTR2BPDE5ATSHRALDH1A1
SCHEMBL5628447 0.83 PNMT (0.52) PNMTHTR2CHTR2BTPSAB1ADRA2A
SCHEMBL17258825 0.79 PNMT (0.57) PNMTHTR2CHTR2BTPSAB1ADRA2A
SCHEMBL5630601 0.79 HTR7 (0.45) HTR2CHTR2BPDE5ATSHRALDH1A1
SCHEMBL2400927 0.78 HRH3 (0.46) TSHRALDH1A1
SCHEMBL1241268 0.78 HRH3 (0.46) TSHRALDH1A1
SCHEMBL2493535 0.78 PDE5A (0.38) HTR2CHTR2BPDE5ATSHRALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556064-B1 Process for the preparation of 2-(cyclohexylmethyl)-N-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide SANOFI SA (FR) 2014-10-15 EP claimed
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 claimed
US-20130123302-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-05-16 US claimed
CN-103068815-A Process for the preparation of 2-(cyclohexylmethyl)-n-{2- [(2s)-1-methylpyrrolidin-2-yl]ethyl}-1, 2, 3, 4- tetrahydroisoquinoline-7-sulfonamide SANOFI SA 2013-04-24 CN claimed
EP-2556064-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-02-13 EP claimed
WO-2011109680-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2011-09-09 WO claimed
EP-2556064-B1 Process for the preparation of 2-(cyclohexylmethyl)-N-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide SANOFI SA (FR) 2014-10-15 EP disclosed
US-8779145-B2 Process for the preparation of 2-(cyclohexylmethyl)-N-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-1,2,3,4-tetrahydroisoquinoline SANOFI (FR) 2014-07-15 US disclosed
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-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-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-20130137718-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-05-30 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
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
CN-103068815-A Process for the preparation of 2-(cyclohexylmethyl)-n-{2- [(2s)-1-methylpyrrolidin-2-yl]ethyl}-1, 2, 3, 4- tetrahydroisoquinoline-7-sulfonamide SANOFI SA 2013-04-24 CN disclosed
EP-2556064-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-02-13 EP disclosed
EP-2542530-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2013-01-09 EP disclosed
WO-2011109680-A3 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2012-12-20 WO disclosed
WO-2011109680-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2011-09-09 WO disclosed
WO-2011109675-A2 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SANOFI (FR) 2011-09-09 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-20130137718-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SULT1E1, SULT2A1, STS PNMT 260/4885HTR2C 225/4885HTR2B 614/4885
US-20130123302-A1 PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N--1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE SULT1E1, SULT2A1, STS PNMT 260/4885HTR2C 225/4885HTR2B 614/4885

“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.