SCHEMBL6803918

SCHEMBL6803918

O=C(Nc1ccc2c(c1)CCN2CCc1ccccn1)c1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.50
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
AVPR2 P30518 1/20 0.42
CNR1 P21554 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CREBBP Q92793 1/20 0.40
HPGD P15428 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL6804886 0.92 SMO (0.50) SMOHTR2CHTR2BAVPR2LMNA
SCHEMBL6799860 0.89 SMO (0.61) SMOHTR2CHTR2BKDM4EGAA
SCHEMBL6804662 0.89 SMO (0.48) SMOKDM4EGAAAVPR2LMNA
SCHEMBL6804640 0.85 SMO (0.50) SMOHTR2CHTR2BAVPR2TDP1
SCHEMBL6803431 0.85 SMO (0.60) SMOKDM4EGAALMNAALDH1A1
SCHEMBL6665241 0.85 SMO (0.52) SMOHTR2CHTR2BKDM4ELMNA
SCHEMBL6804684 0.83 SMO (0.61) SMOHTR2CHTR2BKDM4EGAA
SCHEMBL6666524 0.82 SMO (0.51) SMOHTR2CHTR2B
SCHEMBL6645118 0.81 MAPT (0.42) HTR2CHTR2BKDM4EGAAALDH1A1
SCHEMBL6804857 0.81 SMO (0.64) SMOHTR2CHTR2BKDM4EGAA

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 SMO 4390/4885HTR2C 2433/4885HTR2B 928/4885

“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.