SCHEMBL324896 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 BCL2 BCL2A1 BCL2L1 BCL2L10 BCL2L2 BCR BRAF CHRM1 CHRNA10 CHRNA9 DRD1 DRD2 DRD3 DRD4 DRD5 EGFR F2 FLT1 FLT4 GCK GHSR GNRHR GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HTR1A HTR1B HTR1D HTR2A HTR2C HTR3A IDH2 KDR KIT MAOB MCL1 MTTP P P4HB PDGFRB PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PIKFYVE ROCK1 ROCK2 SLC18A2 SLC6A2 SLC6A3 SLC6A4 TACR1 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 gyrA gyrB parC parE pol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ADRA1A known ✓	P35348	2/20	0.42

▸	HTR1A known ✓	P08908	1/20	0.39

▸	ADRA2A known ✓	P08913	1/20	0.39

▸	HTR2A known ✓	P28223	1/20	0.39

▸	SLC6A3 known ✓	Q01959	1/20	0.39

▸	CYP2D6	P10635	2/20	0.42

▸	MAOA	P21397	1/20	0.42

▸	MAPK1	P28482	1/20	0.42

▸	SCN4A	P35499	1/20	0.42

▸	BLM	P54132	1/20	0.42

▸	PMP22	Q01453	1/20	0.42

▸	PDE3A	Q14432	1/20	0.42

▸	SCN5A	Q14524	1/20	0.42

▸	SCN9A	Q15858	1/20	0.42

▸	SCN2A	Q99250	1/20	0.42

▸	SCN3A	Q9NY46	1/20	0.42

▸	SCN10A	Q9Y5Y9	1/20	0.42

▸	PTPN11	Q06124	7/20	0.41

▸	DHFR	P00374	2/20	0.41

▸	NUDT1	P36639	1/20	0.41

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.

Compound	similarity	top predicted	shared targets
SCHEMBL310324	0.90	CYP2D6 (0.50)	CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL29384947	0.90	CYP2D6 (0.50)	CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL7771204	0.89	CYP2D6 (0.39)	CYP2D6ADRA1AMAOAMAPK1SCN4A
Hydrochloric Acid SCHEMBL7767228	0.89	CYP2D6 (0.49)	CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL5070138	0.81	SCN9A (0.42)	CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL5566857	0.80	CYP2D6 (0.48)	CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL6049489	0.79	HEXA (0.62)	CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL6049486	0.79	CYP2D6 (0.50)	CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL5069251	0.76	HEXA (0.48)	CYP2D6ADRA1AMAOAMAPK1SCN4A
SCHEMBL5072676	0.76	CYP2D6 (0.47)	CYP2D6ADRA1AMAOAMAPK1SCN4A

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8093268-B2	Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-)	GLAXO GROUP LIMITED (GB)	2012-01-10	—	—	US	disclosed
US-20100113521-A1	PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-)	GLAXO GROUP LIMITED (GB)	2010-05-06	—	—	US	disclosed
US-20100105688-A1	PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1	GLAXO GROUP LIMITED (GB)	2010-04-29	—	—	US	disclosed
EP-2129381-A1	PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1	Glaxo Group Limited (GB)	2009-12-09	—	—	EP	disclosed
EP-2117538-A1	PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-)	Glaxo Group Limited (GB)	2009-11-18	—	—	EP	disclosed
WO-2008090114-A1	PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-)	GLAXO GROUP LIMITED (GB)	2008-07-31	—	—	WO	disclosed
WO-2008090117-A1	PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1	GLAXO GROUP LIMITED (GB)	2008-07-31	—	—	WO	disclosed
EP-0879230-B1	OPTICALLY ACTIVE PHENYL PYRIMIDINE DERIVATIVE AS ANALGESIC AGENT	GLAXO GROUP LTD (GB)	2001-07-25	—	—	EP	disclosed
US-6124308-A	ANALGESICS, ANTICONVULSANTS, TREATING IRRITABLE BOWEL SYNDROME OR BIPOLAR DISORDER	GLAXO WELLCOME INC. (US)	2000-09-26	—	—	US	disclosed
EP-0879230-A2	OPTICALLY ACTIVE PHENYL PYRIMIDINE DERIVATIVE AS ANALGESIC AGENT	GLAXO GROUP LIMITED (GB)	1998-11-25	—	—	EP	disclosed
WO-1997009317-A2	OPTICALLY ACTIVE PHENYL PYRIMIDINE DERIVATIVE AS ANALGESIC AGENT	GLAXO GROUP LIMITED (GB)	1997-03-13	—	—	WO	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20100105688-A1	PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1	KCNJ2, SCN5A, GRIK5	ADRA1A 637/4885HTR1A 294/4885ADRA2A 309/4885
US-20100113521-A1	PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-)	KCNJ2, TRPV1, SCN5A	ADRA1A 302/4885HTR1A 264/4885ADRA2A 207/4885

“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.