SCHEMBL549153

SCHEMBL549153

COc1ccc(Cl)cc1CC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.46
▸ CYP2A6 P11509 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ SLC6A2 P23975 4/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CA1 P00915 1/20 0.39

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
SCHEMBL988827 0.86 SLC6A4 (0.46) SLC6A4CYP2A6KDM4ESLC6A2KCNH2
SCHEMBL17913433 0.83 CYP1A2 (0.43) SLC6A4CYP2A6KDM4ESLC6A2KCNH2
SCHEMBL2990425 0.80 SLC6A4 (0.43) SLC6A4KDM4ESLC6A2SLC6A3HPGD
SCHEMBL30861233 0.80 IDO1 (0.56) HSD17B10HTR2ACA1CA2CA9
SCHEMBL11825653 0.80 IDO1 (0.56) HSD17B10HTR2ACA1CA2CA9
SCHEMBL5479089 0.80 ACHE (0.50) KDM4EHPGDMEN1KMT2ATSHR
SCHEMBL11578002 0.79 SLC6A4 (0.62) SLC6A4CYP2A6KDM4ESLC6A2KCNH2
SCHEMBL4722473 0.79 PTGER1 (0.48) CYP2A6ALDH1A1
SCHEMBL12370675 0.79 IDO1 (0.50) SLC6A4KDM4ESLC6A2KCNH2SLC6A3
SCHEMBL4522555 0.79 KDM4E (0.56) KDM4ETSHRHTR2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179781-B2 Sodium channel modulators for the treatment of pain CHROMOCELL CORPORATION 2019-01-15 — — US disclosed
US-10179781-B2 Sodium channel modulators for the treatment of pain CHROMOCELL CORPORATION 2019-01-15 — — US disclosed
EP-3043787-B1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES CHROMOCELL CORP (US) 2018-09-05 — — EP disclosed
EP-2968234-B1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORP (US) 2018-06-27 — — EP disclosed
EP-2968234-B1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORP (US) 2018-06-27 — — EP disclosed
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES CHROMOCELL CORPORATION (US) 2017-10-26 — — US disclosed
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES CHROMOCELL CORPORATION (US) 2017-10-26 — — US disclosed
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES CHROMOCELL CORPORATION (US) 2017-10-26 — — US disclosed
EP-3193610-A1 SELECTIVE NAV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES Chromocell Corporation (US) 2017-07-26 — — EP disclosed
US-9458118-B2 Sodium channel modulators for the treatment of pain and diabetes CHROMOCELL CORPORATION (US) 2016-10-04 — — US disclosed
WO-2004009550-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1ALPHA BINDING TO ITS RECEPTOR CCR1 PFIZER PRODUCTS INC. (US) 2004-01-29 — — WO disclosed
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 — — US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 — — WO disclosed
WO-2002102787-A2 NOVEL SULFONIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-12-27 — — WO disclosed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 — — US disclosed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 — — US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 — — US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 — — EP disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 — — US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 — — US 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-10179781-B2 Sodium channel modulators for the treatment of pain SCN7A, SCN10A, SCN2A SLC6A4 227/4885CYP2A6 1856/4885KDM4E 3640/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 SLC6A4 4137/4885CYP2A6 672/4885KDM4E 3866/4885
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES SCN7A, SCN1A, SCN1B SLC6A4 456/4885CYP2A6 2366/4885KDM4E 2353/4885

“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.

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