SCHEMBL3147114

SCHEMBL3147114

O=C(O)C[C@@]1(Cc2ccccc2)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.43
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
EPHX1 P07099 1/20 0.38
GLA P06280 1/20 0.35
GRIN2B Q13224 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 2/20 0.34
MAPK1 P28482 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL3152655 1.00 HSD11B1 (0.43) HSD11B1HPGDALDH1A1USP2KMT2A
SCHEMBL3147106 1.00 HSD11B1 (0.43) HSD11B1HPGDALDH1A1USP2KMT2A
SCHEMBL6725338 1.00 HSD11B1 (0.43) HSD11B1HPGDALDH1A1USP2KMT2A
SCHEMBL3152647 1.00 HSD11B1 (0.43) HSD11B1HPGDALDH1A1USP2KMT2A
SCHEMBL3161094 0.97 HSD11B1 (0.43) HSD11B1HPGDALDH1A1USP2KMT2A
SCHEMBL8347018 0.85 HPGD (0.39) HSD11B1HPGDALDH1A1USP2KMT2A
SCHEMBL3147308 0.75 CYP1A2 (0.38) HSD11B1ALDH1A1USP2
SCHEMBL21622002 0.75 CYP1A2 (0.38) HSD11B1ALDH1A1USP2
SCHEMBL3156153 0.75 CYP1A2 (0.38) HSD11B1ALDH1A1USP2
SCHEMBL13450787 0.75 CYP1A2 (0.38) HSD11B1ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP disclosed
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BLAKEMORE DAVID CLIVE (GB) 2004-05-13 US disclosed
US-6596900-B2 Brain, nervous system, neurodegenerative, gastrointestinal, sleep, rheumatic, and psychological disorders; analgesics, antiepileptic agents PFIZER INC 2003-07-22 US disclosed
US-20030078300-A1 Fused bicyclic or tricyclic amino acids PFIZER INC. 2003-04-24 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 (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-20030078300-A1 Fused bicyclic or tricyclic amino acids AADAT, SLC1A2, BCAT1 HSD11B1 4544/4885HPGD 3228/4885ALDH1A1 1302/4885
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BCAT1, BCAT2, AADAT HSD11B1 4124/4885HPGD 1049/4885ALDH1A1 3565/4885

“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.