SCHEMBL19995950

SCHEMBL19995950

Cc1ccc(C2CCNC2)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.42
HTR2C P28335 4/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 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
SCHEMBL6956559 0.90 HTR2C (0.46) HTR2CCHRM2CHRM4CHRM5CHRM1
SCHEMBL26353655 0.89 HTR2A (0.41) HTR2CCHRM2CHRM3
Hydrochloric Acid SCHEMBL31149849 0.82 ALDH1A1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16661514 0.80
SCHEMBL8127649 0.74 HPGD (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10000241 0.72 NPC1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15448627 0.72 NPC1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17474526 0.72 ALDH1A1 (0.40) ALDH1A1MAPTKMT2A
SCHEMBL3648603 0.69 HTR3A (0.44) HTR3AMEN1ALDH1A1MAPTKMT2A
SCHEMBL23879771 0.68 SLC6A2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS BIAL - PORTELA & CA, S.A. (PT) 2022-01-20 US disclosed
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US disclosed
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 US disclosed
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2019-11-07 US disclosed
EP-3515433-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-07-31 EP disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 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 (4 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-20220017523-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 HTR3A 73/4885HTR2C 279/4885CHRM2 713/4885
US-20190337950-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS DBH, SLC6A3, SLC6A2 HTR3A 70/4885HTR2C 291/4885CHRM2 800/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C HTR3A 1886/4885HTR2C 4189/4885CHRM2 1636/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 HTR3A 66/4885HTR2C 289/4885CHRM2 757/4885

“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.