SCHEMBL546334

SCHEMBL546334

c1ccc(C2CCC[N]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
TAAR1 Q96RJ0 3/20 0.38
MAOB P27338 8/20 0.38
MAOA P21397 7/20 0.38
KDM1A O60341 5/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2B6 P20813 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2A6 P11509 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3115176 1.00 NOS1 (0.48) NOS1NOS2TAAR1MAOBMAOA
SCHEMBL4751341 1.00 NOS1 (0.48) NOS1NOS2TAAR1MAOBMAOA
SCHEMBL186274 0.93 NOS1 (0.52) NOS1NOS2TAAR1MAOBMAOA
SCHEMBL3173918 0.91 NOS1 (0.50) NOS1NOS2TAAR1MAOBMAOA
SCHEMBL8542775 0.91 NOS1 (0.50) NOS1NOS2TAAR1MAOBMAOA
SCHEMBL1749974 0.83 NOS1 (0.44) NOS1NOS2TAAR1MAOBMAOA
SCHEMBL7765323 0.83 ALDH1A1 (0.41) NOS1NOS2MAOBMAOACYP2D6
SCHEMBL7764535 0.83 ALDH1A1 (0.41) NOS1NOS2MAOBMAOACYP2D6
SCHEMBL7854036 0.81 NOS1 (0.38) NOS1NOS2TAAR1MAOBMAOA
SCHEMBL2749914 0.80 CYP1A2 (0.39) NOS1NOS2CYP2C19CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-04 US claimed
CN-114105887-B Aminopyrimidine derivative and preparation method and application thereof 沈阳药科大学 2023-12-01 CN claimed
WO-2023040537-A1 AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳药科大学 2023-03-23 WO claimed
CN-114105887-A Aminopyrimidine derivative and preparation method and application thereof 沈阳药科大学 2022-03-01 CN claimed
EP-3898639-A1 OXOPYRIDO[1,2-A]PYRIMIDINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-27 EP claimed
US-20210317141-A1 OXOPYRIDO[1,2-A]PYRIMIDINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-14 US claimed
CN-113195503-A Oxopyrido [1,2-A ] pyrimidine compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-07-30 CN claimed
WO-2020127624-A1 OXOPYRIDO[1,2-A]PYRIMIDINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO claimed
EP-2872511-B1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-01-16 EP claimed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
JP-2002500641-A 2002-01-08 JP claimed
WO-2001096339-A1 NOVEL TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-20 WO claimed
EP-0998451-A1 SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-05-10 EP claimed
WO-1998050344-A1 SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-11-12 WO claimed
EP-0705259-B1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-02-25 EP claimed
EP-0705259-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-10 EP claimed
WO-1995000508-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20210317141-A1 OXOPYRIDO[1,2-A]PYRIMIDINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION TYMS, UMPS, DPYD NOS1 1140/4885NOS2 2743/4885TAAR1 1567/4885
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS VIP, SGTA, NGLY1 NOS1 2672/4885NOS2 3431/4885TAAR1 3108/4885
US-20030186978-A1 Novel telomerase inhibitors TERT, TERF2IP, TERF2 NOS1 3551/4885NOS2 4040/4885TAAR1 3797/4885

“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.