SCHEMBL20955957

SCHEMBL20955957

Cc1ccc(NC(=O)C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 2/20 0.66
MAPT P10636 2/20 0.66
POLB P06746 1/20 0.66
CYP2C19 P33261 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.63
TSHR P16473 1/20 0.59
TRPV1 Q8NER1 1/20 0.57
PTPN2 P17706 2/20 0.57
PTPN1 P18031 2/20 0.57
FAAH O00519 1/20 0.56
PTPN6 P29350 1/20 0.56
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
YAP1 P46937 1/20 0.55
TEAD4 Q15561 1/20 0.55

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
SCHEMBL16332685 0.86 YAP1 (0.71) KDM4EMAPTPTPN2PTPN1FAAH
SCHEMBL19520251 0.86 PTPN2 (0.71) ALDH1A1KDM4EMAPTPOLBCYP2C19
SCHEMBL315809 0.85 MGLL (0.67) TRPV1PTPN2PTPN1FAAHYAP1
SCHEMBL19302972 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTPOLBCYP2C19
SCHEMBL7865123 0.84 NAMPT (0.72) ALDH1A1KDM4EMAPTPOLBCYP2C19
SCHEMBL25668532 0.82 KDM4E (0.63) ALDH1A1KDM4EMAPTPOLBCYP2C19
Hydrochloric Acid SCHEMBL435505 0.82 NAMPT (0.70) ALDH1A1KDM4EMAPTPOLBCYP2C19
SCHEMBL23245968 0.82 UBE2M (0.56) ALDH1A1KDM4EMAPTPOLBPTPN2
SCHEMBL23246064 0.81 RHOC (0.60) ALDH1A1MAPTTRPV1PTPN2PTPN1
SCHEMBL1339196 0.80 PTPN1 (0.71) ALDH1A1KDM4EMAPTCYP2C19PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448850-B1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-10428024-B2 Piperidinyl derivatives MERCK PATENT GMBH (DE) 2019-10-01 US disclosed
US-20190135753-A1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2019-05-09 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-10428024-B2 Piperidinyl derivatives PDK1, PDK2, PDK3 ALDH1A1 82/4885KDM4E 1034/4885MAPT 4278/4885
US-20190135753-A1 PIPERIDINYL DERIVATIVES PDK1, PDK2, PDK3 ALDH1A1 82/4885KDM4E 1034/4885MAPT 4278/4885

“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.