SCHEMBL315328

SCHEMBL315328

[CH2]c1cn(C)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.55
IMPDH2 P12268 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HTR2A P28223 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
GPR3 P46089 1/20 0.46
NR4A2 P43354 1/20 0.46
IDO1 P14902 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GSK3B P49841 1/20 0.45
KMT2A Q03164 2/20 0.44
CCNT1 O60563 1/20 0.44

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
SCHEMBL21035552 0.74 GPR84 (0.57) GPR84IMPDH2ALDH1A1HTR2ANPSR1
SCHEMBL146530 0.74 GPR84 (0.57) GPR84IMPDH2ALDH1A1HTR2ANPSR1
SCHEMBL29473770 0.74 GPR84 (0.57) GPR84IMPDH2ALDH1A1HTR2ANPSR1
SCHEMBL10395712 0.74 GPR84 (0.57) GPR84IMPDH2ALDH1A1HTR2ANPSR1
SCHEMBL8612789 0.74 CNR2 (0.50) ALDH1A1POLBKDM4E
SCHEMBL1891947 0.73 GPR84 (0.55) GPR84IMPDH2ALDH1A1HTR2ANPSR1
SCHEMBL13806393 0.73 GPR84 (0.55) GPR84IMPDH2ALDH1A1HTR2ANPSR1
SCHEMBL646254 0.73 GPR84 (0.55) GPR84IMPDH2ALDH1A1HTR2ANPSR1
SCHEMBL31123023 0.73 GPR84 (0.55) GPR84IMPDH2ALDH1A1HTR2ANPSR1
SCHEMBL8927740 0.73 GPR3 (0.36) GPR84ALDH1A1GPR3POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344278-A Rosin amino acid compound and preparation method and application thereof 广西中医药大学 2024-07-16 CN claimed
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-04 US claimed
CN-107082774-A The derivative of one class containing 1,2,4 nitrogen triazole type skeletons and its preparation method and application 南京大学 2017-08-22 CN claimed
EP-1218337-B1 SYNTHESIS OF 3,5,7|-1H-IMIDAZO 1,5-A|IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2007-10-31 EP claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US claimed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US claimed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP claimed
US-6881727-B2 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. (JP) 2005-04-19 US claimed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US claimed
US-5571793-A COMBATTING ENDOPARASITES IN HUMANS OR ANIMALS BY ADMINISTERING PEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US claimed
WO-1996026183-A1 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS NOVARTIS AG (CH) 1996-08-29 WO claimed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US claimed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US claimed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP claimed
EP-0181152-B1 PIPERAZINE COMPOUND AS PAF-ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP claimed
EP-0243122-A2 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP claimed
EP-0181152-A1 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP claimed
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 US 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 (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-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS VIP, SGTA, NGLY1 GPR84 1953/4885IMPDH2 3787/4885ALDH1A1 4645/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK GPR84 3962/4885IMPDH2 4021/4885ALDH1A1 3662/4885
US-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 GPR84 23/4885IMPDH2 2566/4885ALDH1A1 2036/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 GPR84 2460/4885IMPDH2 2509/4885ALDH1A1 2972/4885

“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.