SCHEMBL5653075 — 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
▸	ALDH1A1	P00352	4/20	0.39

▸	SMN1; SMN2	Q16637	1/20	0.39

▸	PSEN1	P49768	1/20	0.37

▸	PSEN2	P49810	1/20	0.37

▸	APH1B	Q8WW43	1/20	0.37

▸	NCSTN	Q92542	1/20	0.37

▸	APH1A	Q96BI3	1/20	0.37

▸	PSENEN	Q9NZ42	1/20	0.37

▸	POLB	P06746	3/20	0.37

▸	GSK3A	P49840	1/20	0.35

▸	GSK3B	P49841	1/20	0.35

▸	MEN1	O00255	2/20	0.35

▸	KMT2A	Q03164	2/20	0.35

▸	CA12	O43570	1/20	0.35

▸	CA1	P00915	1/20	0.35

▸	CA2	P00918	1/20	0.35

▸	CA9	Q16790	1/20	0.35

▸	LMNA	P02545	2/20	0.34

▸	ELANE	P08246	1/20	0.34

▸	L3MBTL1	Q9Y468	1/20	0.34

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
SCHEMBL5121809	0.94	GSK3A (0.40)	ALDH1A1SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL30028689	0.80	MEN1 (0.43)	ALDH1A1SMN1; SMN2POLBGSK3AGSK3B
SCHEMBL5114769	0.78	MEN1 (0.40)	ALDH1A1POLBGSK3AGSK3BMEN1
SCHEMBL3645840	0.78	GSK3A (0.45)	ALDH1A1SMN1; SMN2POLBGSK3AGSK3B
SCHEMBL3689858	0.77	BRD4 (0.41)	ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8912197	0.77	KMT2A (0.45)	ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL8912207	0.76	MEN1 (0.38)	ALDH1A1POLBGSK3AGSK3BMEN1
Hydrochloric Acid SCHEMBL3693041	0.75	BRD4 (0.39)	ALDH1A1SMN1; SMN2MEN1KMT2A
Ethyl Bromo Acetate SCHEMBL30029142	0.74	ALDH1A1 (0.47)	ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5652672	0.73	MEN1 (0.34)	ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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-20070299260-A1	Method for Preparing Hexahydro-8-Hydroxy-2, 6-Methano-2H-Chinolizin-3 (4H) -One Esters	CILAG LTD. (CH)	2007-12-27	—	—	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-20070299260-A1	Method for Preparing Hexahydro-8-Hydroxy-2, 6-Methano-2H-Chinolizin-3 (4H) -One Esters	CYP4Z1, HDHD5, HCAR2	ALDH1A1 541/4885SMN1; SMN2 4715/4885PSEN1 4661/4885

“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.