SCHEMBL760412

SCHEMBL760412

Cc1ccc(N2CCC(O)(CN)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
ADRB1 P08588 1/20 0.46
PTPN11 Q06124 1/20 0.41
AKR1C3 P42330 1/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DHFR P00374 2/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL12999035 0.84 ADRB1 (0.47) ADRB1AKR1C3MAPTLMNAGAA
SCHEMBL737608 0.82 HSD17B10 (0.52) SLC6A2SLC6A4SLC6A3ADRB1AKR1C3
SCHEMBL6078859 0.79 CYP2C9 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL17665167 0.78 ADRB1 (0.52) ADRB1AKR1C3MAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL6078571 0.78 CYP2C9 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL10643802 0.77 ALDH1A1 (0.53) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL26406889 0.74 ADRB1 (0.52) ADRB1PTPN11AKR1C3MAPTSMN1; SMN2
SCHEMBL760255 0.73 ADRB1 (0.40) ADRB1AKR1C3MAPTGAASMN1; SMN2
SCHEMBL17543949 0.73 ADRB1 (0.50) ADRB1AKR1C3MAPTGAAKDM4E
SCHEMBL20694433 0.72 ADRB1 (0.46) ADRB1AKR1C3MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 SLC6A2 971/4885SLC6A4 522/4885SLC6A3 1090/4885

“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.