SCHEMBL508524

SCHEMBL508524

c1ccc2c(c1)CCN2Cc1cnc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 1.00
FNTA P49354 10/20 0.57
FNTB P49356 10/20 0.57
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
CDK4 P11802 1/20 0.51
ALOX15 P16050 1/20 0.51
CCND1 P24385 1/20 0.51
MAPT P10636 2/20 0.49
TRPM5 Q9NZQ8 1/20 0.48
NLN Q9BYT8 1/20 0.44
ADRA1A P35348 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PTK2B Q14289 1/20 0.43
ESR2 Q92731 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
SCHEMBL3527996 0.92 TAAR1 (1.00) TAAR1FNTAFNTBALDH1A1KMT2A
SCHEMBL3527502 0.90 TAAR1 (0.92) TAAR1FNTAFNTBALDH1A1KMT2A
SCHEMBL12993043 0.81 TAAR1 (0.67) TAAR1FNTAFNTB
SCHEMBL12993245 0.81 TAAR1 (0.67) TAAR1FNTAFNTB
SCHEMBL8205096 0.81 TAAR1 (0.67) TAAR1FNTAFNTB
SCHEMBL12993134 0.81 TAAR1 (0.67) TAAR1FNTAFNTB
SCHEMBL12993227 0.81 TAAR1 (0.67) TAAR1FNTAFNTB
SCHEMBL12993153 0.81 TAAR1 (0.67) TAAR1FNTAFNTB
SCHEMBL12993050 0.81 TAAR1 (0.67) TAAR1FNTAFNTB
SCHEMBL12993146 0.78 TAAR1 (0.64) TAAR1FNTAFNTBNLN

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2013-08-29 US disclosed
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-20130079271-A1 REVERSED BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS MCCORMICK KEVIN D (US) 2013-03-28 US disclosed
US-20130079271-A1 REVERSED BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS MCCORMICK KEVIN D (US) 2013-03-28 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 WO disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
US-5538973-A ANTIHISTAMINE, THROMBOXANE A2 ANTAGONIST KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-23 US disclosed
EP-0597112-A1 NOVEL IMIDAZOLE DERIVATIVE, PHARMACEUTICAL USE THEREOF, AND INTERMEDIATE THEREFOR Kyoto Pharmaceutical Industries, Ltd. (JP) 1994-05-18 EP 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 (5 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-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A TAAR1 186/4885FNTA 2267/4885FNTB 2402/4885
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 TAAR1 1/4885FNTA 3660/4885FNTB 3538/4885
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A TAAR1 79/4885FNTA 2465/4885FNTB 2394/4885
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A TAAR1 79/4885FNTA 2465/4885FNTB 2394/4885
US-20130079271-A1 REVERSED BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A TAAR1 260/4885FNTA 2086/4885FNTB 2418/4885

“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.