SCHEMBL14686652

SCHEMBL14686652

O=C(CN1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ccccn2)CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 6/20 0.59
▸ HTR2A P28223 5/20 0.46
▸ HTR2C P28335 4/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HTR1A P08908 4/20 0.42
▸ DRD2 P14416 3/20 0.42
▸ TMEM97 Q5BJF2 3/20 0.42
▸ DRD4 P21917 3/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL12185602 0.91 PRCP (0.70) PRCPHTR2AHTR2CKCNH2ALDH1A1
SCHEMBL12185590 0.82 PRCP (0.68) PRCPHTR2AHTR1ADRD2DRD4
SCHEMBL12186022 0.82 PRCP (0.68) PRCPDRD2DRD4DRD3GRIN2B
SCHEMBL12186038 0.82 PRCP (0.63) PRCPALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL12185600 0.82 PRCP (0.70) PRCPKDM4ETSHRHTTHTR1A
SCHEMBL14686433 0.81 PRCP (0.52) PRCPKCNH2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14701380 0.80 PRCP (0.53) PRCPKCNH2ALDH1A1DRD2DRD4
SCHEMBL14686508 0.79 PRCP (0.65) PRCPKCNH2ALDH1A1DRD2DRD4
SCHEMBL12185546 0.77 PLAT (0.50) PRCPHTR1ASLC6A4SLC6A3
SCHEMBL14686543 0.75 PRCP (0.64) PRCPHTR2AHTR2CKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 — — EP disclosed
EP-2568812-B1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-26 — — EP disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-9365539-B2 Prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — US disclosed
US-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-14 — — 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 (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-20130040929-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP PRCP 1/4885HTR2A 4576/4885HTR2C 4623/4885

“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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