SCHEMBL4557697

SCHEMBL4557697

c1ccc(C23CNCC2C3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.68
SLC6A4 P31645 8/20 0.68
SLC6A3 Q01959 8/20 0.68
KCNH2 Q12809 2/20 0.68
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL10819294 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL2054564 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL4761442 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL14520924 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL14520923 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2DRD2
Hydrochloric Acid SCHEMBL4326374 0.98 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL4713453 0.89 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3KCNH2DRD2
Hexane SCHEMBL4713252 0.88 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL30272567 0.86 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL11083508 0.85 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904059-A2 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS Wyeth a Corporation of the State of Delaware (US) 2008-04-02 EP claimed
WO-2007013936-A2 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS WYETH (US) 2007-02-01 WO claimed
US-20070021488-A1 Method for treating nervous system disorders and conditions WYETH (US) 2007-01-25 US claimed
US-6204284-B1 ALCOHOL OR COCAINE ABUSE AMERICAN CYANAMID COMPANY 2001-03-20 US claimed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US claimed
CN-120136849-A Phenyl-3-azabicyclo [3.1.0] hexane ROR gamma regulator and application thereof 南京烁慧医药科技有限公司 2025-06-13 CN disclosed
CN-120136849-A Phenyl-3-azabicyclo [3.1.0] hexane ROR gamma regulator and application thereof 南京烁慧医药科技有限公司 2025-06-13 CN disclosed
US-20250115583-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2025-04-10 US disclosed
US-12098141-B2 Bicyclic indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2024-09-24 US disclosed
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-08-03 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-4839379-A AROMATASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1989-06-13 US disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 US disclosed
US-4088652-A Acylazabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1978-05-09 US disclosed
US-4088652-A Acylazabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1978-05-09 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 (6 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 SLC6A2 3/4885SLC6A4 8/4885SLC6A3 2/4885
US-20250115583-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, NR1I2 SLC6A2 3177/4885SLC6A4 3221/4885SLC6A3 3296/4885
US-12098141-B2 Bicyclic indazole glucocorticoid receptor antagonists NR3C1, NR3C2, NR1I2 SLC6A2 3177/4885SLC6A4 3221/4885SLC6A3 3296/4885
US-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 SLC6A2 3/4885SLC6A4 8/4885SLC6A3 2/4885
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, NR1I2 SLC6A2 3177/4885SLC6A4 3221/4885SLC6A3 3296/4885
US-20070021488-A1 Method for treating nervous system disorders and conditions AVPR1B, AVPR2, AVPR1A SLC6A2 33/4885SLC6A4 145/4885SLC6A3 100/4885

“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.