SCHEMBL12197892

SCHEMBL12197892

CC(C)CC(CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
CACNA1B Q00975 2/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
GABBR2 O75899 4/20 0.44
GABBR1 Q9UBS5 4/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL660764 0.85 FNTA (0.54) FFAR1FNTAFNTBGABBR2GABBR1
SCHEMBL3665382 0.84 FOLH1 (0.47) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL3928758 0.84 GABBR2 (0.61) FFAR1FNTAFNTBGABBR2GABBR1
SCHEMBL25152267 0.84 GABBR2 (0.61) FFAR1FNTAFNTBGABBR2GABBR1
SCHEMBL25152663 0.84 GABBR2 (0.61) FFAR1FNTAFNTBGABBR2GABBR1
Hydrochloric Acid SCHEMBL7334847 0.83 FNTA (0.52) FFAR1FNTAFNTBGABBR2GABBR1
SCHEMBL5378079 0.82 FFAR1 (0.52) FFAR1FNTAFNTBGABBR2GABBR1
SCHEMBL12197888 0.82 GABBR2 (0.43) CACNA1BGABBR2GABBR1CTSLHPGD
SCHEMBL11576451 0.81 CA2 (0.44) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL28316668 0.80 FFAR1 (0.47) FFAR1FNTAFNTBGABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-9045482-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-02 US disclosed
US-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-01-01 US disclosed
US-8859561-B2 Pyrido[4,3-b]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-14 US disclosed
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 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 (4 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-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 FFAR1 1376/4885CACNA1B 549/4885FNTA 3667/4885
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C FFAR1 1369/4885CACNA1B 538/4885FNTA 3661/4885
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C FFAR1 1369/4885CACNA1B 538/4885FNTA 3661/4885
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C FFAR1 1369/4885CACNA1B 538/4885FNTA 3661/4885

“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.