SCHEMBL5835574

SCHEMBL5835574

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C=O)n4Cc4ccccc43)cc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
AVPR1A P37288 8/20 0.43
AVPR2 P30518 7/20 0.43
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BRD4 O60885 2/20 0.39
RAB9A P51151 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ROCK2 O75116 1/20 0.36

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
SCHEMBL7114677 0.92 AVPR2 (0.49) TSHRSMN1; SMN2AVPR1AAVPR2ALDH1A1
SCHEMBL5836585 0.85 AVPR2 (0.48) AVPR1AAVPR2ROCK2
SCHEMBL5835303 0.85 AVPR1A (0.51) AVPR1AAVPR2
SCHEMBL5785098 0.84 AVPR2 (0.50) TSHRSMN1; SMN2AVPR1AAVPR2ALDH1A1
SCHEMBL7115671 0.82 AVPR2 (0.48) AVPR1AAVPR2ROCK2
SCHEMBL5787329 0.81 AVPR1A (0.46) TSHRSMN1; SMN2AVPR1AAVPR2ALDH1A1
SCHEMBL5786882 0.81 AVPR2 (0.43) TSHRSMN1; SMN2AVPR1AAVPR2ALDH1A1
SCHEMBL5783950 0.81 AVPR2 (0.40) TSHRSMN1; SMN2AVPR1AAVPR2ALDH1A1
SCHEMBL5786189 0.81 AVPR2 (0.48) TSHRSMN1; SMN2AVPR1AAVPR2ALDH1A1
SCHEMBL7112850 0.81 AVPR2 (0.42) TSHRSMN1; SMN2AVPR1AAVPR2ALDH1A1

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
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US claimed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US claimed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 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 (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-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 TSHR 169/4885SMN1; SMN2 2129/4885AVPR1A 62/4885

“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.