SCHEMBL1920902

SCHEMBL1920902

C[C@H]1C[C@@H](C)C(=O)N(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
GRM2 Q14416 2/20 0.44
ACHE P22303 1/20 0.44
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PREP P48147 1/20 0.43
ALOX12 P18054 1/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
MT-CO2 P00403 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL27158649 0.78 GRM2 (0.46) GRM2MEN1KMT2A
SCHEMBL3201687 0.77 DPP4 (0.50) TSHRHPGDGRM2BRD4ALDH1A1
SCHEMBL27623771 0.77 BRD4 (0.47) TSHRHPGDGRM2BRD4ALDH1A1
SCHEMBL3185962 0.77 DPP4 (0.50) TSHRHPGDGRM2BRD4ALDH1A1
SCHEMBL3201676 0.77 DPP4 (0.50) TSHRHPGDGRM2BRD4ALDH1A1
SCHEMBL12169472 0.77 PIK3CD (0.50) ACHEALDH1A1KMT2A
SCHEMBL434087 0.77 HPGD (0.64) TSHRHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL16080214 0.77 HPGD (0.64) TSHRHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL9424540 0.77 PIK3CD (0.50) ACHEALDH1A1KMT2A
SCHEMBL13484174 0.77 HPGD (0.47) TSHRHPGDGRM2BRD4ALDH1A1

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
EP-1716135-B1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LTD (GB) 2011-06-01 EP disclosed
US-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 US disclosed
EP-1716135-A1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS Pfizer Limited (GB) 2006-11-02 EP disclosed
WO-2005077935-A1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LIMITED (GB) 2005-08-25 WO disclosed
US-20050176772-A1 Pharmaceutically active compounds PFIZER INC 2005-08-11 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-20050176772-A1 Pharmaceutically active compounds MC4R, MC3R, MC5R TSHR 124/4885HPGD 1792/4885GRM2 331/4885

“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.