SCHEMBL3857414

SCHEMBL3857414

COc1cc(N)ccc1OCCN1C(C)CCCC1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ LTA4H P09960 2/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ FDPS P14324 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL6924482 0.95 HTR2C (0.55) HTR2AHTR2CHTR2BKDM4EGAA
SCHEMBL6924479 0.95 HTR2C (0.55) HTR2AHTR2CHTR2BKDM4EGAA
SCHEMBL7065408 0.89 HTR2C (0.49) HTR2AHTR2CHTR2BKDM4EGAA
SCHEMBL3870460 0.79 SMN1; SMN2 (0.47) HTR2AHTR2CHTR2BMAPTLTA4H
SCHEMBL5389879 0.79 SMN1; SMN2 (0.47) HTR2AHTR2CHTR2BMAPTLTA4H
SCHEMBL3865092 0.79 KDM4E (0.58) HTR2AHTR2CHTR2BKDM4EADRA1A
SCHEMBL5381539 0.78 LTA4H (0.59) HTR2AHTR2CHTR2BKDM4EGAA
SCHEMBL264641 0.78 LTA4H (0.62) HTR2AHTR2CHTR2BKDM4EGAA
SCHEMBL13936783 0.77 AXL (0.65) —
SCHEMBL31378713 0.77 LTA4H (0.61) HTR2AHTR2CHTR2BKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 — — US disclosed
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 — — EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 — — WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — US disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 — — WO 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 HTR2A 565/4885HTR2C 1085/4885HTR2B 480/4885

“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.

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