SCHEMBL10194128

SCHEMBL10194128

Cc1ccc2c(c1)C(N1CCN(CCC(=O)O)CC1)=Nc1ccccc1O2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
ABCB11 O95342 1/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
BLM P54132 1/20 0.66
PMP22 Q01453 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HTR2C P28335 7/20 0.58
HRH4 Q9H3N8 4/20 0.56
HTR2A P28223 9/20 0.54
HRH1 P35367 7/20 0.53
DRD3 P35462 3/20 0.53
CHRM1 P11229 2/20 0.53
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
KCNK2 O95069 1/20 0.53

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
SCHEMBL10194126 0.94 MEN1 (0.64) MEN1ABCB11LMNACYP1A2CYP3A4
SCHEMBL5946392 0.88 MEN1 (0.81) MEN1ABCB11LMNACYP1A2CYP3A4
SCHEMBL10194132 0.87 MEN1 (0.63) MEN1ABCB11LMNACYP1A2CYP3A4
SCHEMBL10194053 0.86 HTR2C (0.67) MEN1ABCB11LMNACYP1A2CYP3A4
SCHEMBL10194052 0.85 HTR2C (0.79) HTR2CHTR2AHRH1DRD2DRD1
SCHEMBL5946345 0.82 MEN1 (0.79) MEN1ABCB11LMNACYP1A2CYP3A4
SCHEMBL10194134 0.82 MEN1 (0.61) MEN1ABCB11LMNACYP1A2CYP3A4
SCHEMBL5946369 0.81 MEN1 (0.77) MEN1ABCB11LMNACYP1A2CYP3A4
SCHEMBL5946376 0.81 MEN1 (0.76) MEN1ABCB11LMNACYP1A2CYP3A4
Loxapine SCHEMBL5500954 0.80 LMNA (1.00) MEN1ABCB11LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
US-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 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-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B MEN1 4531/4885ABCB11 4824/4885LMNA 195/4885

“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.