SCHEMBL731368

SCHEMBL731368

O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
S1PR5 Q9H228 5/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
S1PR1 P21453 2/20 0.45
RORC P51449 1/20 0.45
DPP4 P27487 1/20 0.42
GRIN2B Q13224 1/20 0.41
FAAH O00519 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MC4R P32245 1/20 0.41
SCD5 Q86SK9 1/20 0.41
FUCA1 P04066 2/20 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
Hydrochloric Acid SCHEMBL731618 0.99 ALDH1A1 (0.46) ALDH1A1S1PR5MAOAMAOBS1PR1
SCHEMBL734281 0.88 ALDH1A1 (0.46) ALDH1A1S1PR5MAOAMAOBRORC
SCHEMBL2226168 0.81 RORC (0.62) S1PR5S1PR1RORCMC4R
SCHEMBL3180726 0.81 RORC (0.62) S1PR5S1PR1RORCMC4R
SCHEMBL2778415 0.81 RORC (0.62) S1PR5S1PR1RORCMC4R
SCHEMBL1976054 0.81 RORC (0.62) S1PR5S1PR1RORCMC4R
SCHEMBL8210627 0.81 RORC (0.62) S1PR5S1PR1RORCMC4R
SCHEMBL732037 0.80 SCD5 (0.39) ALDH1A1S1PR5MAOAMAOBRORC
SCHEMBL733087 0.80 SCD5 (0.39) ALDH1A1S1PR5MAOAMAOBRORC
SCHEMBL751717 0.79 SCD5 (0.38) ALDH1A1S1PR5MAOAMAOBRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989196-B1 PIPERIDINOYLPYRROLIDINES AS MELANOCORTIN TYPE 4 RECEPTOR AGONISTS PFIZER LTD (GB) 2013-02-13 EP disclosed
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 US disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 US disclosed
US-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines PFIZER INC 2009-02-05 US disclosed
EP-1989196-A2 MELANOCORTIN TYPE 4 RECEPTOR AGONIST PIPERIDINOYLPYRROLIDINES Pfizer Limited (GB) 2008-11-12 EP disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
EP-1912968-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS Pfizer Limited (GB) 2008-04-23 EP disclosed
WO-2007096763-A2 MELANOCORTIN TYPE 4 RECEPTOR AGONIST PIPERIDINOYLPYRROLIDINES PFIZER LIMITED (GB) 2007-08-30 WO disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 WO disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 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-20090036459-A1 Melanocortin Type 4 Receptor Agonist Piperidinoylpyrrolidines MC4R, MC5R, MC3R ALDH1A1 1618/4885S1PR5 605/4885MAOA 1310/4885
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR ALDH1A1 590/4885S1PR5 547/4885MAOA 3645/4885

“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.