SCHEMBL624013 — 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
▸	SCN9A	Q15858	1/20	0.54

▸	MEN1	O00255	1/20	0.47

▸	ALDH1A1	P00352	1/20	0.47

▸	MAPT	P10636	1/20	0.47

▸	KMT2A	Q03164	1/20	0.47

▸	GLS	O94925	2/20	0.46

▸	ACKR3	P25106	1/20	0.45

▸	KAT7	O95251	1/20	0.43

▸	KAT8	Q9H7Z6	1/20	0.43

▸	KDM1A	O60341	1/20	0.43

▸	BACE1	P56817	2/20	0.42

▸	CTSD	P07339	1/20	0.42

▸	HPGD	P15428	1/20	0.42

▸	BCHE	P06276	2/20	0.42

▸	HTR6	P50406	2/20	0.42

▸	FEN1	P39748	2/20	0.41

▸	ALOX5AP	P20292	1/20	0.41

▸	CYP2C9	P11712	1/20	0.41

▸	MMP1	P03956	1/20	0.41

▸	MMP9	P14780	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
SCHEMBL1785143	0.97	SCN9A (0.53)	SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL1785144	0.97	SCN9A (0.53)	SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL2955344	0.97	SCN9A (0.53)	SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL3713816	0.95	SCN9A (0.52)	SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL31421097	0.94	SCN9A (0.50)	SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL31420855	0.94	SCN9A (0.50)	SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL707476	0.93	SCN9A (0.50)	SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL2241775	0.90	GPR119 (0.47)	SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL613606	0.90	GPR119 (0.47)	SCN9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL613607	0.90	GPR119 (0.47)	SCN9AMEN1ALDH1A1MAPTKMT2A

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20120040990-A1	INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES	BISSANTZ CATERINA (FR)	2012-02-16	—	—	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 (1 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-20120040990-A1	INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES	AVPR1A, AVPR2, OXTR	SCN9A 532/4885MEN1 1220/4885ALDH1A1 1370/4885

“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.