SCHEMBL6708288

SCHEMBL6708288

CN1CCN(c2ccc(CCNC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
MCHR1 Q99705 9/20 0.56
CHRM1 P11229 2/20 0.56
HTR2A P28223 2/20 0.56
CYP2D6 P10635 2/20 0.56
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL1331001 0.91 RAB9A (0.61) RAB9AMCHR1CHRM1HTR2ACYP2D6
SCHEMBL8181502 0.86 RAB9A (0.67) RAB9ASMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL6705685 0.86 HDAC2 (0.47) RAB9AMCHR1CHRM1HTR2ACYP2D6
SCHEMBL6226417 0.85 TAAR1 (0.49) RAB9ANPC1DRD4KDM4E
SCHEMBL1330315 0.84 RAB9A (0.68) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL6706782 0.83 RAB9A (0.49) RAB9AMCHR1PSEN1PSEN2APH1B
SCHEMBL1331780 0.82 RAB9A (0.64) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL1330392 0.81 RAB9A (0.60) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3870972 0.81 MCHR1 (0.80) RAB9AMCHR1CHRM1HTR2ACYP2D6
SCHEMBL6225381 0.80 HDAC2 (0.43) RAB9APSEN1PSEN2APH1BNCSTN

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 2 patents. 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 claimed
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 RAB9A 2725/4885MCHR1 2/4885CHRM1 295/4885

“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.