SCHEMBL17305367

SCHEMBL17305367

CCc1ccc([C@@H]2CN(C(C)(C)C)C[C@@]2(F)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 4/20 0.39
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ALDH1A1 P00352 2/20 0.34
RORC P51449 4/20 0.34
HTT P42858 1/20 0.33
KDM1A O60341 1/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL17305437 0.86 RORC (0.38) RORCLMNACYP2C9TSHR
SCHEMBL17305235 0.86 LMNA (0.35) ALDH1A1RORCTP53NPC1RAB9A
SCHEMBL17305234 0.85 RORC (0.43) RORCKDM1ALMNACYP2C9TSHR
SCHEMBL17305262 0.85 MAPK1 (0.38) MAPTLMNACYP2C9TSHR
SCHEMBL17305219 0.85 CYP2C9 (0.35) ALDH1A1RORCNPC1MAPTRAB9A
SCHEMBL19078320 0.84 PDE5A (0.39) ALDH1A1RORCMAPTSMN1; SMN2LMNA
SCHEMBL19078241 0.82 LMNA (0.40) ALDH1A1RORCRAB9ASMN1; SMN2LMNA
SCHEMBL17305155 0.82 LMNA (0.40) ALDH1A1RORCRAB9ASMN1; SMN2LMNA
SCHEMBL18701070 0.80 POLB (0.36) F2RS1PR1S1PR5ALDH1A1HTT
SCHEMBL17305398 0.78 PRKCZ (0.35) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981960-B2 Pyrrolidine compound and application as melanocortin receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-29 US disclosed
US-9981960-B2 Pyrrolidine compound and application as melanocortin receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-29 US disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 US disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 US disclosed
WO-2015182723-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST 田辺三菱製薬株式会社 2015-12-03 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-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MC1R, MC5R, MC3R F2R 777/4885S1PR1 463/4885S1PR5 489/4885

“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.