SCHEMBL16629013

SCHEMBL16629013

COc1cc(I)c(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.37
TDO2 P48775 2/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
ERN1 O75460 1/20 0.35
RPS6KA3 P51812 1/20 0.35

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
SCHEMBL30318670 1.00 NNMT (0.37) NNMTTDO2GABRPGABRDGABRA1
SCHEMBL11996768 0.77 NNMT (0.50) NNMTTDO2GABRPGABRDGABRA1
SCHEMBL14990136 0.77 NNMT (0.46) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL8118182 0.77 DRD1 (0.39) NNMTTDO2GABRPGABRDGABRA1
SCHEMBL25352523 0.76
SCHEMBL16116088 0.76 NNMT (0.35) NNMTTDO2GABRPGABRDGABRA1
SCHEMBL16114910 0.75 NNMT (0.41) NNMTTDO2GABRPGABRDGABRA1
SCHEMBL20606492 0.75 NNMT (0.37) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL25347775 0.75 CNR2 (0.42) NNMTTDO2GABRPGABRDGABRA1
SCHEMBL1162059 0.75 NNMT (0.41) NNMTGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 US disclosed
EP-4444708-B1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER (US) 2025-07-30 EP disclosed
US-20250129048-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2025-04-24 US disclosed
CN-116113635-B Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2025-03-18 CN disclosed
US-20250084084-A1 Crystalline form of (2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-(pyrimidin-2-yl)-3,4-dihydro-1H-spiro[1,8-naphthyridine-2,3-pyrrolidin]-1-yl]propan-1-one PFIZER INC. (US) 2025-03-13 US disclosed
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed
US-20240390340-A1 PYRROLIDINE KRAS INHIBITORS INCYTE CORP (US) 2024-11-28 US disclosed
EP-4161927-B9 SPIRO COMPOUNDS AS MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER (US) 2024-11-06 EP disclosed
EP-4444708-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2024-10-16 EP disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 CN disclosed
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
EP-3223820-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2017-10-04 EP disclosed
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-05 US disclosed
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-22 US disclosed
EP-3099687-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 EP disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
WO-2016085780-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-06-02 WO disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 US disclosed
WO-2015116886-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 WO disclosed
WO-2015051241-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-09 WO 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 (8 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-20250084084-A1 Crystalline form of (2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-(pyrimidin-2-yl)-3,4-dihydro-1H-spiro[1,8-naphthyridine-2,3-pyrrolidin]-1-yl]propan-1-one CSPP1, PRNP, RPLP2 NNMT 3779/4885TDO2 3638/4885GABRP 3674/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NNMT 2869/4885TDO2 964/4885GABRP 2126/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 NNMT 2869/4885TDO2 964/4885GABRP 2126/4885
US-20240390340-A1 PYRROLIDINE KRAS INHIBITORS KRAS, NRAS, HRAS NNMT 1388/4885TDO2 4557/4885GABRP 3159/4885
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI NNMT 4807/4885TDO2 2245/4885GABRP 2244/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NNMT 2869/4885TDO2 964/4885GABRP 2126/4885
US-20250129048-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF MC4R, MC3R, MC2R NNMT 2479/4885TDO2 1875/4885GABRP 594/4885
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, PSEN1 NNMT 560/4885TDO2 2352/4885GABRP 2673/4885

“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.