SCHEMBL6705685

SCHEMBL6705685

CN1CCN(c2ccc(CCNC(=O)c3ccc(-c4ccc(Cl)cc4)cc3N)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.47
HDAC3 O15379 3/20 0.47
MCHR1 Q99705 5/20 0.47
RAB9A P51151 4/20 0.47
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
DRD4 P21917 1/20 0.43
DYRK1A Q13627 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
KLKB1 P03952 1/20 0.42

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
SCHEMBL6706782 0.86 RAB9A (0.49) HDAC2HDAC3MCHR1RAB9APSEN1
SCHEMBL6708288 0.86 RAB9A (0.61) HDAC2HDAC3MCHR1RAB9APSEN1
SCHEMBL6225381 0.85 HDAC2 (0.43) HDAC2HDAC3RAB9APSEN1PSEN2
SCHEMBL6226417 0.80 TAAR1 (0.49) RAB9ADRD4NPC1
SCHEMBL1331001 0.79 RAB9A (0.61) MCHR1RAB9APSEN1PSEN2APH1B
SCHEMBL6705717 0.76 MCHR1 (0.77) MCHR1LMNAHTR2ACYP2D6CHRM1
SCHEMBL1330030 0.76 SCD (0.49) MCHR1RAB9ALMNASMN1; SMN2NPC1
SCHEMBL6224776 0.76 RAB9A (0.41) HDAC2HDAC3RAB9APSEN1PSEN2
SCHEMBL6705915 0.75 MCHR1 (0.76) MCHR1LMNAHTR2ACYP2D6CHRM1
SCHEMBL6708049 0.75 MCHR1 (0.60) HDAC2HDAC3MCHR1DRD4LMNA

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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R HDAC2 1034/4885HDAC3 898/4885MCHR1 2/4885

“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.