SCHEMBL10194053

SCHEMBL10194053

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.67
HTR2A P28223 8/20 0.63
HRH1 P35367 5/20 0.57
MEN1 O00255 1/20 0.55
ABCB11 O95342 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DRD2 P14416 3/20 0.54
DRD1 P21728 1/20 0.54
HTR2B P41595 1/20 0.54
HRH4 Q9H3N8 1/20 0.53
CHRM1 P11229 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL10194052 0.91 HTR2C (0.79) HTR2CHTR2AHRH1DRD2DRD1
SCHEMBL10194033 0.90 HRH4 (0.60) HTR2CHTR2AHRH1MEN1ABCB11
SCHEMBL10194049 0.90 MEN1 (0.69) HTR2CHTR2AHRH1MEN1ABCB11
SCHEMBL10194061 0.88 HTR2C (0.67) HTR2CHTR2AHRH1MEN1ABCB11
SCHEMBL10194109 0.87 HTR2C (0.69) HTR2CHTR2AHRH1DRD2DRD1
SCHEMBL10194128 0.86 MEN1 (0.66) HTR2CHTR2AHRH1MEN1ABCB11
SCHEMBL10194126 0.85 MEN1 (0.64) HTR2CHTR2AHRH1MEN1ABCB11
SCHEMBL31208376 0.84 HTR2A (0.86) HTR2CHTR2AHRH1DRD2DRD1
SCHEMBL10194086 0.84 HTR2A (0.86) HTR2CHTR2AHRH1DRD2DRD1
SCHEMBL29893639 0.84 HTR2C (0.87) HTR2CHTR2AHRH1DRD2DRD1

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 HTR2C 4/4885HTR2A 9/4885HRH1 858/4885

“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.