SCHEMBL22229845

SCHEMBL22229845

C[C@H](N)Cc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 1.00
SLC6A3 Q01959 2/20 1.00
SLC6A4 P31645 3/20 0.67
TAAR1 Q96RJ0 5/20 0.61
PNMT P11086 2/20 0.61
MAOA P21397 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
CYP2A6 P11509 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60

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
SCHEMBL267030 1.00 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4TAAR1PNMT
SCHEMBL586783 1.00 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4TAAR1PNMT
Hydrochloric Acid SCHEMBL4519421 0.98 SLC6A2 (0.95) SLC6A2SLC6A3SLC6A4TAAR1PNMT
Hydrochloric Acid SCHEMBL4363928 0.98 SLC6A2 (0.95) SLC6A2SLC6A3SLC6A4TAAR1PNMT
Methane SCHEMBL19285556 0.98 SLC6A2 (0.95) SLC6A2SLC6A3SLC6A4TAAR1PNMT
Hydrochloric Acid SCHEMBL3279916 0.98 SLC6A2 (0.95) SLC6A2SLC6A3SLC6A4TAAR1PNMT
Hydrochloric Acid SCHEMBL1168686 0.98 SLC6A2 (0.95) SLC6A2SLC6A3SLC6A4TAAR1PNMT
SCHEMBL9468251 0.94 SLC6A2 (0.88) SLC6A2SLC6A3SLC6A4TAAR1PNMT
SCHEMBL20714984 0.94 SLC6A2 (0.88) SLC6A2SLC6A3SLC6A4TAAR1PNMT
Sulfuric Acid SCHEMBL11130866 0.88 SLC6A2 (0.78) SLC6A2SLC6A3SLC6A4TAAR1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 US disclosed
WO-2021021893-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-02-04 WO disclosed
US-20200231629-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2020-07-23 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200231629-A1 BETA-HAIRPIN PEPTIDOMIMETICS BET1, BACH1, POLL SLC6A2 4825/4885SLC6A3 4853/4885SLC6A4 4873/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S SLC6A2 4865/4885SLC6A3 4845/4885SLC6A4 4878/4885

“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.