SCHEMBL14769166

SCHEMBL14769166

O=C(Nc1ccc(C2=CCC(O)CC2)cc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
RCOR1 Q9UKL0 2/20 0.52
ROCK2 O75116 1/20 0.52
POLB P06746 1/20 0.51
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
MGLL Q99685 3/20 0.49
HRH3 Q9Y5N1 2/20 0.49
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46

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
SCHEMBL29562161 0.87 KDM1A (0.49) KDM1AMAOAMAOBRCOR1ROCK2
SCHEMBL2635679 0.84 HRH3 (0.68) KDM1AMAOAMAOBPOLBTP53
SCHEMBL14769158 0.84 KDM1A (0.47) KDM1AMAOAMAOBRCOR1ROCK2
SCHEMBL2634405 0.80 PDE3B (0.47) KDM1AMAOAMAOBRCOR1ROCK2
SCHEMBL29562369 0.79 ROCK2 (0.54) KDM1AMAOAMAOBRCOR1ROCK2
SCHEMBL14810088 0.78 ROCK2 (0.56) KDM1AMAOAMAOBRCOR1ROCK2
SCHEMBL9128045 0.76 ROCK2 (0.69) KDM1AMAOAMAOBRCOR1ROCK2
SCHEMBL6395476 0.75 NPC1 (0.53) KDM1AMAOAMAOBRCOR1ROCK2
Benzyl Phenylcarbamate SCHEMBL1222943 0.75 POLB (0.78) KDM1AMAOAMAOBRCOR1ROCK2
SCHEMBL11358875 0.74 POLB (0.68) KDM1AMAOAMAOBRCOR1ROCK2

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 4 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-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-20130065877-A1 SUBSTITUTED PHENYL CYCLOALKYL PYRROLIDINE (PIPERIDINE) SPIROLACTAMS AND AMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-14 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 (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.