SCHEMBL22147102

SCHEMBL22147102

C/C=C1\c2ccccc2CCc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
HTT P42858 2/20 0.44
HTR2B P41595 3/20 0.43
SRD5A1 P18405 3/20 0.41
SRD5A2 P31213 3/20 0.41
CES1 P23141 1/20 0.41
CYP19A1 P11511 4/20 0.41
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
SLC6A2 P23975 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
ADRB2 P07550 2/20 0.41
RET P07949 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
ADRB1 P08588 2/20 0.41
HTR1A P08908 2/20 0.41
CHRM5 P08912 2/20 0.41

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
SCHEMBL22146706 0.90 MAOB (0.44) MAOBHTTHTR2BCES1SLC6A2
SCHEMBL4068688 0.84 SRD5A1 (0.55) MAOBHTTHTR2BSRD5A1SRD5A2
SCHEMBL8859036 0.84 CES1 (0.56) MAOBHTTHTR2BCES1CYP19A1
SCHEMBL4036590 0.83 HTT (0.44) MAOBHTTHTR2BSRD5A1SRD5A2
SCHEMBL4161951 0.83 HTT (0.44) MAOBHTTHTR2BSRD5A1SRD5A2
SCHEMBL4036595 0.83 HTT (0.44) MAOBHTTHTR2BSRD5A1SRD5A2
SCHEMBL4135475 0.81 CES1 (0.61) MAOBHTTSRD5A1SRD5A2CES1
SCHEMBL4159260 0.80 HTR2B (0.47) HTTHTR2BSRD5A1SRD5A2SLC6A2
SCHEMBL4159257 0.80 HTR2B (0.47) HTTHTR2BSRD5A1SRD5A2SLC6A2
SCHEMBL11097918 0.80 HTT (0.41) MAOBHTTHTR2BSRD5A1SRD5A2

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-20200200765-A1 BROAD SPECTRUM GPCR BINDING AGENTS PROMEGA CORPORATION 2020-06-25 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-20200200765-A1 BROAD SPECTRUM GPCR BINDING AGENTS GPR139, GPR4, GPR3 MAOB 1967/4885HTT 4282/4885HTR2B 280/4885

“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.