SCHEMBL350048

SCHEMBL350048

O=[C]NCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
GPR84 Q9NQS5 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42

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
SCHEMBL2701813 0.79 TMEM97 (0.55) TAAR1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL6561077 0.79 TAAR1 (0.55) TAAR1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL28849471 0.79 GFER (0.52) ALDH1A1CA12CA1CA2
SCHEMBL6562213 0.79 ALDH1A1 (0.50) TAAR1HPGDCYP1A2ALDH1A1CA12
SCHEMBL5535468 0.79 TAAR1 (0.50) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL349780 0.78 ALDH1A1 (0.52) TAAR1L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL1486307 0.78 LMNA (0.47) HPGDL3MBTL1CYP2D6CYP2C9CYP2C19
SCHEMBL6562364 0.76 KCNJ1 (0.50) HPGDCA12CA1CA2CA4
SCHEMBL5420659 0.76 FFAR1 (0.48) TAAR1
SCHEMBL1302121 0.75 TDP1 (0.46) L3MBTL1KDM4EALDH1A1

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
EP-0384362-B1 Glycinderivatives HOFFMANN LA ROCHE (CH) 1999-12-15 EP claimed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 US claimed
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 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 (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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TAAR1 417/4885HPGD 23/4885L3MBTL1 4068/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 TAAR1 417/4885HPGD 23/4885L3MBTL1 4068/4885

“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.