SCHEMBL16197319

SCHEMBL16197319

CN1CCN(C(=O)C(N)CN)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 1/20 0.42
CHRM1 P11229 5/20 0.41
HTR1A P08908 1/20 0.41
DPP7 Q9UHL4 2/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
CHRM3 P20309 2/20 0.37
CYP2C19 P33261 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL14843166 1.00 CYP1A2 (0.45) CYP1A2TDP1HSD17B10CHRM1HTR1A
Hydrochloric Acid SCHEMBL3402044 0.98 CYP1A2 (0.43) CYP1A2TDP1HSD17B10CHRM1HTR1A
SCHEMBL14850782 0.89 DPP7 (0.44) DPP7DPP4
SCHEMBL14843027 0.89 DPP7 (0.44) DPP7DPP4
SCHEMBL30484009 0.84 HTR1A (0.46) CYP1A2TDP1HSD17B10CHRM1HTR1A
SCHEMBL14843076 0.83 DPP7 (0.41) DPP7DPP4
SCHEMBL14843074 0.83 DPP7 (0.41) DPP7DPP4
SCHEMBL16435188 0.81 DPP7 (0.46) DPP7DPP4
SCHEMBL22917833 0.81 CYP1A2 (0.42) CYP1A2TDP1HSD17B10CHRM1HTR1A
SCHEMBL15853672 0.81 CYP1A2 (0.42) CYP1A2TDP1HSD17B10CHRM1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989095-B1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL PIPERAZIN-1 -YL)-3-OXO-PROPRYL]AMIDE SANOFI SA (FR) 2018-11-21 EP claimed
US-9637479-B2 Tartrate salt of 5-chloro-thiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]amide SANOFI (FR) 2017-05-02 US claimed
US-20160102082-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL-PIPERAZIN-1-YL)-3-OXO-PROPYL]AMIDE BEIJING COLLAB PHARM CO., LTD. (CN) 2016-04-14 US claimed
EP-2989095-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL PIPERAZIN-1 -YL)-3-OXO-PROPRYL]AMIDE SANOFI (FR) 2016-03-02 EP claimed
WO-2014174102-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL PIPERAZIN-1 -YL)-3-OXO-PROPRYL]AMIDE SANOFI (FR) 2014-10-30 WO claimed
EP-2989095-B1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL PIPERAZIN-1 -YL)-3-OXO-PROPRYL]AMIDE SANOFI SA (FR) 2018-11-21 EP disclosed
US-9637479-B2 Tartrate salt of 5-chloro-thiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]amide SANOFI (FR) 2017-05-02 US disclosed
US-20160102082-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL-PIPERAZIN-1-YL)-3-OXO-PROPYL]AMIDE BEIJING COLLAB PHARM CO., LTD. (CN) 2016-04-14 US disclosed
EP-2989095-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL PIPERAZIN-1 -YL)-3-OXO-PROPRYL]AMIDE SANOFI (FR) 2016-03-02 EP disclosed
WO-2014174102-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL PIPERAZIN-1 -YL)-3-OXO-PROPRYL]AMIDE SANOFI (FR) 2014-10-30 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 (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-20160102082-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL-PIPERAZIN-1-YL)-3-OXO-PROPYL]AMIDE CPS1, ACP3, ACP1 CYP1A2 3461/4885TDP1 531/4885HSD17B10 2298/4885

“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.