SCHEMBL900231

SCHEMBL900231

c1ccc2c(N3CCNCC3)ccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 11/20 1.00
ADRB2 P07550 5/20 1.00
ADRB1 P08588 1/20 0.57
HTR6 P50406 4/20 0.56
HTR1A P08908 2/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
HTR2A P28223 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
HTR7 P34969 1/20 0.56
MTOR P42345 1/20 0.56
HTR3A P46098 1/20 0.56
HTR5A P47898 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56

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
SCHEMBL30041391 1.00 NCF1 (1.00) NCF1ADRB2ADRB1HTR6HTR1A
Hydrochloric Acid SCHEMBL30061214 0.98 NCF1 (0.97) NCF1ADRB2ADRB1HTR6HTR1A
SCHEMBL23412205 0.94 NCF1 (0.88) NCF1ADRB2ADRB1HTR6HTR1A
SCHEMBL2884262 0.89 NCF1 (0.79) NCF1ADRB2ADRB1HTR6HTR1A
SCHEMBL30061245 0.87 NCF1 (0.77) NCF1ADRB2ADRB1HTR6HTR1A
Hydrochloric Acid SCHEMBL3711412 0.87 NCF1 (0.77) NCF1ADRB2ADRB1HTR6HTR1A
SCHEMBL14515644 0.84 NCF1 (0.73) NCF1ADRB2HSD17B10KDM4EALDH1A1
SCHEMBL3649189 0.84 NCF1 (0.73) NCF1ADRB2TSHRHSD17B10KDM4E
SCHEMBL19000048 0.83 NCF1 (0.71) NCF1ADRB2TSHRHSD17B10KDM4E
SCHEMBL28250832 0.83 NCF1 (0.71) NCF1ADRB2HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612384-B2 Heterocyclic CYP4A inhibitor compounds and compositions thereof MBD Co., Ltd. (KR) 2026-04-28 US disclosed
US-20240287032-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF MBD Co., Ltd. (KR) 2024-08-29 US disclosed
US-20230150980-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2023-05-18 US disclosed
EP-4139291-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF Anima Biotech Inc. (US) 2023-03-01 EP disclosed
US-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF MBD CO., LTD (KR) 2022-12-22 US disclosed
CN-115427404-A Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2022-12-02 CN disclosed
WO-2022235091-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF 엠비디 주식회사 2022-11-10 WO disclosed
WO-2021216665-A9 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-12-02 WO disclosed
WO-2021216665-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-10-28 WO disclosed
WO-2021096335-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF 엠비디 주식회사 2021-05-20 WO disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 EP 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-20240287032-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF CYP4B1, CYP4A11, CYP3A4 NCF1 2417/4885ADRB2 916/4885ADRB1 492/4885
US-20230150980-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF COL1A1, COL2A1, COL14A1 NCF1 90/4885ADRB2 4640/4885ADRB1 3532/4885
US-12612384-B2 Heterocyclic CYP4A inhibitor compounds and compositions thereof CYP4A11, CYP4B1, CYP4A22 NCF1 2221/4885ADRB2 288/4885ADRB1 127/4885
US-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF CYP4A11, CYP4B1, CYP4A22 NCF1 2403/4885ADRB2 1242/4885ADRB1 553/4885

“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.