SCHEMBL8773445

SCHEMBL8773445

CCCc1ccc2c(c1)C(O)CCO2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
CYP2D6 P10635 3/20 0.50
SLC6A4 P31645 3/20 0.50
MAP3K14 Q99558 2/20 0.45
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KIF11 P52732 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HPGD P15428 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8773430 0.86 HTR1A (0.51) HTR1ACYP2D6SLC6A4MAP3K14KIF11
SCHEMBL3167852 0.84 CTSD (0.45) HTR1ACYP2D6SLC6A4MAP3K14
SCHEMBL3177710 0.84 CTSD (0.45) HTR1ACYP2D6SLC6A4MAP3K14
SCHEMBL24915635 0.82 HTR1A (0.39) HTR1ACYP2D6SLC6A4CNR1CNR2
SCHEMBL12210966 0.78 MAP3K14 (0.44) HTR1ACYP2D6SLC6A4MAP3K14HPGD
SCHEMBL11867423 0.77 THRA (0.45) SLC6A4ALDH1A1CYP3A4
SCHEMBL8251432 0.76 MAP3K14 (0.51) HTR1ACYP2D6SLC6A4MAP3K14KDM4C
SCHEMBL4751498 0.75 MAP3K14 (0.59) HTR1ACYP2D6SLC6A4MAP3K14KDM4C
SCHEMBL4366274 0.74 MAP3K14 (0.53) HTR1ACYP2D6SLC6A4MAP3K14HPGD
SCHEMBL24215112 0.73 DAO (0.47) HTR1ACYP2D6SLC6A4MAP3K14

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-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 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-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B HTR1A 2/4885CYP2D6 620/4885SLC6A4 23/4885

“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.