SCHEMBL6800573

SCHEMBL6800573

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1ccccc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
SMO Q99835 2/20 0.48
EIF2AK3 Q9NZJ5 3/20 0.45
HTR2C P28335 5/20 0.45
HTR2B P41595 5/20 0.45
HTR2A P28223 3/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CREBBP Q92793 1/20 0.41
EIF2AK1 Q9BQI3 1/20 0.41
DHODH Q02127 1/20 0.41
GPR55 Q9Y2T6 1/20 0.40
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MTTP P55157 1/20 0.39

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
SCHEMBL6662686 0.92 ROCK2 (0.52) ROCK2SMOEIF2AK3HTR2CHTR2B
SCHEMBL6797528 0.91 EIF2AK3 (0.48) SMOEIF2AK3HTR2CHTR2BHTR2A
SCHEMBL6809248 0.90 SMO (0.56) SMOEIF2AK3HTR2CHTR2BHTR2A
SCHEMBL6802195 0.90 EIF2AK3 (0.49) ROCK2SMOEIF2AK3HTR2CHTR2B
SCHEMBL6667301 0.88 SMO (0.51) SMOEIF2AK3HTR2CHTR2BHTR2A
SCHEMBL6672281 0.87 EIF2AK3 (0.49) ROCK2SMOEIF2AK3HTR2CHTR2B
SCHEMBL6668503 0.87 EIF2AK3 (0.51) SMOEIF2AK3HTR2CHTR2BHTR2A
SCHEMBL6804640 0.87 SMO (0.50) SMOEIF2AK3HTR2CHTR2BHTR2A
SCHEMBL6804049 0.87 SMO (0.50) SMOEIF2AK3HTR2CHTR2BHTR2A
SCHEMBL6803784 0.87 EIF2AK3 (0.53) ROCK2SMOEIF2AK3HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 ROCK2 3165/4885SMO 4390/4885EIF2AK3 2638/4885

“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.