SCHEMBL981053

SCHEMBL981053

Ic1ccc2c(c1)NCC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.52
PNMT P11086 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PARP1 P09874 5/20 0.35
PARP10 Q53GL7 5/20 0.35
TDP2 O95551 2/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
S1PR1 P21453 1/20 0.33
CFTR P13569 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL30584650 1.00 ADRA2A (0.52) ADRA2APNMTADRA2BADRA2CDRD2
Acetaldehyde SCHEMBL27764807 0.89 ADRA2A (0.43) ADRA2APNMTADRA2BADRA2CDRD2
SCHEMBL30487745 0.88 ADRA2A (0.44) ADRA2APNMTADRA2BADRA2CGFER
SCHEMBL21760177 0.88 ADRA2A (0.44) ADRA2APNMTADRA2BADRA2CGFER
SCHEMBL177194 0.83 DRD2 (0.59) ADRA2APNMTADRA2BADRA2CDRD2
SCHEMBL21760178 0.75 KDM4E (0.48) ADRA2APNMTADRA2BADRA2CDRD2
SCHEMBL33917 0.74 DRD2 (0.70) DRD2DRD4GFERSMN1; SMN2PARP1
SCHEMBL426519 0.74 PARP10 (0.56) DRD2DRD4GFERSMN1; SMN2ALDH1A1
SCHEMBL5538290 0.74 DRD2 (0.44) DRD2DRD4GFERSMN1; SMN2ALDH1A1
SCHEMBL1612916 0.74 PNMT (0.57) ADRA2APNMTADRA2BADRA2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-09 US disclosed
EP-4536653-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME Eisai R&D Management Co., Ltd. (JP) 2025-04-16 EP disclosed
EP-4536363-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS Nikang Therapeutics, Inc. (US) 2025-04-16 EP disclosed
CN-119790053-A Sulfonamide derivatives as cyclin dependent kinase 2 inhibitors 霖康疗法公司 2025-04-08 CN disclosed
EP-4479406-A1 OXAZINE DYES AND THEIR USE IN NUCLEIC ACID AMPLIFICATION REACTIONS Promega Corporation (US) 2024-12-25 EP disclosed
US-20240352035-A1 NEAR-INFRARED NERVE-SPARING BENZO[C]PHENOXAZINE FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-10-24 US disclosed
CN-118791417-A Pink back pteridonic acid derivative, preparation method and application thereof 安徽工业大学 2024-10-18 CN disclosed
CN-118359634-A Pyrazole derivative and medical use thereof 正大天晴药业集团股份有限公司 2024-07-19 CN disclosed
US-12030893-B2 Near-infrared nerve-sparing benzo[c]phenoxazine fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-09 US disclosed
US-12030893-B2 Near-infrared nerve-sparing benzo[c]phenoxazine fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-07-09 US disclosed
US-5972951-A Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-10-26 US disclosed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO disclosed
US-5746776-A Dry-cleaning kit for in-dryer use CREATIVE PRODUCTS RESOURCE, INC. (US) 1998-05-05 US disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
EP-0799226-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
CN-1032202-C 6-substituted-hexahydrobenz (cd) indoles and process for preparation therefor LILLY CO ELI (US) 1996-07-03 CN disclosed
WO-1996019477-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 WO disclosed
CN-1054419-A 6-replacement-hexahydro-benzo [CD] indoles and preparation method thereof LILLY CO ELI (US) 1991-09-11 CN 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 (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-20240352035-A1 NEAR-INFRARED NERVE-SPARING BENZO[C]PHENOXAZINE FLUOROPHORES NTRK1, PMP22, PAX3 ADRA2A 668/4885PNMT 193/4885ADRA2B 461/4885
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME NEU1, NEU2, NEU4 ADRA2A 2023/4885PNMT 1554/4885ADRA2B 2080/4885
US-12030893-B2 Near-infrared nerve-sparing benzo[c]phenoxazine fluorophores NTRK1, PMP22, PAX3 ADRA2A 668/4885PNMT 193/4885ADRA2B 461/4885

“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.