SCHEMBL10160230

SCHEMBL10160230

O=C(NC1CCCCC1)c1ccc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.62
DRD4 P21917 2/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
AR P10275 1/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
TEAD1 P28347 1/20 0.45
SCN9A Q15858 1/20 0.44
SLC6A5 Q9Y345 2/20 0.44
ADRB2 P07550 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL91106 0.87 HRH3 (0.51) HRH3MEN1KMT2ASCN9A
SCHEMBL62615 0.87 HDAC4 (0.51) HRH3DRD4ARSCN9ASLC6A5
SCHEMBL62036 0.84 DRD4 (0.69) DRD4MEN1KMT2ASLC6A5
SCHEMBL3663685 0.83 HRH3 (0.52) HRH3DRD4ARSCN9ASLC6A5
SCHEMBL63038 0.79 HPGDS (0.51) HRH3SCN9ASMYD3
SCHEMBL16194601 0.78 PRKAA2 (0.48) HRH3DRD4SCN9ASLC6A5EPHX2
SCHEMBL2696228 0.78 HPGDS (0.46) HRH3DRD4SCN9ASLC6A5
SCHEMBL61628 0.77 DRD4 (0.78) DRD4MEN1KMT2ASLC6A5
SCHEMBL4501085 0.77 HRH3 (1.00) HRH3
SCHEMBL4511178 0.77 HRH3 (1.00) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 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 (2 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 HRH3 2514/4885DRD4 3588/4885MEN1 4748/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HRH3 2573/4885DRD4 2946/4885MEN1 3125/4885

“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.