SCHEMBL4092765

SCHEMBL4092765

C[C@H](N)c1ccc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 1/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
NAPRT Q6XQN6 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL31086606 1.00 ADRB2 (0.52) ADRB2SMN1; SMN2PIK3CDCYP3A4CYP2D6
SCHEMBL31247543 1.00 ADRB2 (0.52) ADRB2SMN1; SMN2PIK3CDCYP3A4CYP2D6
SCHEMBL594241 1.00 ADRB2 (0.52) ADRB2SMN1; SMN2PIK3CDCYP3A4CYP2D6
SCHEMBL14211414 1.00 ADRB2 (0.52) ADRB2SMN1; SMN2PIK3CDCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL14121259 0.98 ADRB2 (0.50) ADRB2SMN1; SMN2PIK3CDCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL14121000 0.98 ADRB2 (0.50) ADRB2SMN1; SMN2PIK3CDCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL14157129 0.98 ADRB2 (0.50) ADRB2SMN1; SMN2PIK3CDCYP3A4CYP2D6
SCHEMBL9046864 0.83 SMN1; SMN2 (0.40) ADRB2SMN1; SMN2PIK3CDCYP3A4CYP2D6
SCHEMBL1090665 0.82 SMN1; SMN2 (0.44) SMN1; SMN2PIK3CDCYP3A4CYP2D6SLC6A2
SCHEMBL3828644 0.82 PIK3CD (0.43) ADRB2SMN1; SMN2PIK3CDCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729447-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2014-05-14 EP claimed
US-20140044806-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2014-02-13 US claimed
WO-2013007621-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2013-01-17 WO claimed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US claimed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-17 US disclosed
US-10744117-B2 PPARG modulators for the treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2020-08-18 US disclosed
WO-2020114947-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-11 WO disclosed
EP-3372582-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2018-09-12 EP disclosed
US-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2018-09-06 US disclosed
US-10016394-B2 PPARG modulators for treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-10 US disclosed
US-10016394-B2 PPARG modulators for treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-10 US disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE (US) 2012-12-06 US disclosed
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (10 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-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 ADRB2 69/4885SMN1; SMN2 1671/4885PIK3CD 1182/4885
US-20140044806-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA1 ADRB2 77/4885SMN1; SMN2 1578/4885PIK3CD 1005/4885
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 ADRB2 77/4885SMN1; SMN2 1578/4885PIK3CD 1005/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 ADRB2 95/4885SMN1; SMN2 642/4885PIK3CD 4406/4885
US-10016394-B2 PPARG modulators for treatment of osteoporosis PPARG, PPARA, PPARD ADRB2 354/4885SMN1; SMN2 4185/4885PIK3CD 763/4885
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG CDK5, CDK5R1, PPARG ADRB2 1501/4885SMN1; SMN2 4032/4885PIK3CD 759/4885
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH ADRB2 646/4885SMN1; SMN2 3647/4885PIK3CD 2278/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD ADRB2 439/4885SMN1; SMN2 3872/4885PIK3CD 726/4885
US-10744117-B2 PPARG modulators for the treatment of osteoporosis PPARG, PPARA, PPARD ADRB2 439/4885SMN1; SMN2 3872/4885PIK3CD 726/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 ADRB2 147/4885SMN1; SMN2 2585/4885PIK3CD 4066/4885

“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.