SCHEMBL3769629

SCHEMBL3769629

CCCc1c(C)nn(-c2c(Cl)cccc2Cl)c1CO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 3/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
P2RX7 Q99572 6/20 0.38
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PDE4B Q07343 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
F2RL1 P55085 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL2772926 0.88 P2RX7 (0.39) GABRB3GABRA2GABRB2P2RX7PDE4B
SCHEMBL2772997 0.82 RORC (0.38) P2RX7PDE4BSMN1; SMN2GAAPDE4A
SCHEMBL2771556 0.80 PDE4B (0.39) P2RX7ALDH1A1PDE4BSMN1; SMN2GAA
SCHEMBL497962 0.73 GABRB3 (0.47) GABRB3GABRA2GABRB2ALDH1A1
SCHEMBL2772721 0.70 KCNJ5 (0.39)
SCHEMBL2772572 0.67 KDM4E (0.41) ALDH1A1
SCHEMBL9174929 0.66 TAAR1 (0.58) ALDH1A1SMN1; SMN2GAAF2RL1
SCHEMBL27331166 0.64 APLNR (0.36) ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL14719474 0.64 TAAR1 (0.56) ALDH1A1SMN1; SMN2GAAF2RL1
SCHEMBL497822 0.64 GABRB3 (0.51) GABRB3GABRA2GABRB2ALDH1A1

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-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 GABRB3 405/4885GABRA2 696/4885GABRB2 447/4885

“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.