SCHEMBL4041356

SCHEMBL4041356

CNC1CCCc2c1n(C)c1ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ MAPT P10636 1/20 0.38

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
Hydrochloric Acid SCHEMBL4369870 0.79 CYP2D6 (0.47) HSD17B10HPGDMEN1ALDH1A1KMT2A
SCHEMBL28328665 0.79 HSD17B10 (0.45) HSD17B10HPGDMEN1ALDH1A1KMT2A
SCHEMBL29202845 0.75 HSD17B10 (0.56) HSD17B10HPGDMEN1ALDH1A1KMT2A
SCHEMBL28992040 0.75 HSD17B10 (0.42) HSD17B10HPGDMEN1ALDH1A1KMT2A
SCHEMBL3858428 0.72 MCHR1 (0.52) CYP1A2CYP2D6SLC6A4
SCHEMBL8793251 0.72 HTR2A (0.44) HSD17B10HPGDMEN1ALDH1A1KMT2A
SCHEMBL3857346 0.71 MCHR1 (0.52) CYP1A2CYP2D6SLC6A4
SCHEMBL26837265 0.71 SLC6A4 (0.45) HSD17B10HPGDMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8792855 0.71 ALOX15 (0.45) HSD17B10HPGDMEN1ALDH1A1KMT2A
SCHEMBL3857871 0.70 SLC6A4 (0.46) HSD17B10HPGDMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603866-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD (IN) 2009-04-29 — — EP disclosed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 — — EP disclosed
US-20060173214-A1 Process for the preparation of enantiomerically pure (r) or (s)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide CADILA HEALTHCARE LIMITED (IN) 2006-08-03 — — US disclosed
EP-1603866-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LTD. (IN) 2005-12-14 — — EP disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 — — US disclosed
WO-2004058694-A1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE CADILA HEALTHCARE LIMITED (IN) 2004-07-15 — — WO disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 — — EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 — — US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 — — 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-20060173214-A1 Process for the preparation of enantiomerically pure (r) or (s)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide SRMS, SPR, SRR HSD17B10 1320/4885HPGD 4489/4885MEN1 4659/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HSD17B10 1125/4885HPGD 1383/4885MEN1 1754/4885

“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.

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