SCHEMBL2635237

SCHEMBL2635237

O=C1CC[C@H](c2ccc(NC(=O)OCc3ccccc3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.60
MAOA P21397 3/20 0.60
MAOB P27338 2/20 0.60
RCOR1 Q9UKL0 4/20 0.59
HRH3 Q9Y5N1 2/20 0.54
POLB P06746 1/20 0.52
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
KDM1B Q8NB78 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ROCK2 O75116 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL28697724 0.93 KDM1A (0.62) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL2635331 0.80 KDM1A (0.65) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL2635334 0.80 KDM1A (0.65) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL2635332 0.80 KDM1A (0.65) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL3545210 0.79 KDM1A (0.60) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL3545211 0.79 KDM1A (0.60) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL13009519 0.78 ROCK2 (0.50) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL7985522 0.78 KDM1A (0.59) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL13009665 0.76 KDM1A (0.57) KDM1AMAOAMAOBRCOR1HRH3
SCHEMBL31503262 0.76 CDK2 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453023-B2 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI (FR) 2016-09-27 US disclosed
US-9453023-B2 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI (FR) 2016-09-27 US disclosed
US-9453023-B2 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI (FR) 2016-09-27 US disclosed
EP-2569280-B1 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI SA (FR) 2015-02-25 EP disclosed
US-20140275005-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-09-18 US disclosed
US-20140275005-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-09-18 US disclosed
US-20140275005-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-09-18 US disclosed
US-8735385-B2 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI (FR) 2014-05-27 US disclosed
US-8735385-B2 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI (FR) 2014-05-27 US disclosed
US-8735385-B2 Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof SANOFI (FR) 2014-05-27 US disclosed
EP-2569280-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
US-20130065877-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-14 US disclosed
US-20130065877-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-14 US disclosed
US-20130065877-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-14 US disclosed
WO-2011143150-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
WO-2011143150-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 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-20130065877-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF PRLHR, TACR1, TACR2 KDM1A 718/4885MAOA 1780/4885MAOB 1236/4885
US-20140275005-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF PRLHR, TACR1, TACR2 KDM1A 718/4885MAOA 1780/4885MAOB 1236/4885

“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.