SCHEMBL208222

SCHEMBL208222

Clc1ccc2on[c]c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.37
LMNA P02545 4/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.33
PSMB8 P28062 2/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAOB P27338 1/20 0.32
PIK3CG P48736 1/20 0.32
ADRA2A P08913 1/20 0.32
TSHR P16473 1/20 0.32
NOS3 P29474 1/20 0.32

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
SCHEMBL207335 0.85 PIK3CG (0.37) AHRLMNACYP1A2MAPTTHRB
SCHEMBL207600 0.75 AHR (0.37) AHR
SCHEMBL325358 0.71 ALDH1A1 (0.41) LMNACYP1A2MAPTALDH1A1KMT2A
SCHEMBL2724 0.69
SCHEMBL8611907 0.67 KDM4E (0.35) CYP1A2MAPTALDH1A1PSMB8KMT2A
SCHEMBL4306677 0.65
SCHEMBL208915 0.64 AHR (0.38) AHRLMNACYP1A2MAPTTHRB
SCHEMBL8613814 0.63 KDM4E (0.40) LMNACYP1A2MAPTALDH1A1KMT2A
SCHEMBL7976274 0.61 LMNA (0.40) AHRLMNACYP1A2MAPTTHRB
SCHEMBL11030089 0.61 TP53 (0.43) AHRLMNAALOX15MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048910-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2022-02-17 US claimed
EP-3946345-A1 METHODS OF TREATING NEUROPATHIC PAIN Intra-Cellular Therapies, Inc. (US) 2022-02-09 EP claimed
EP-3914235-A2 METHODS OF TREATING ADDICTION Intra-Cellular Therapies, Inc. (US) 2021-12-01 EP claimed
EP-3897621-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2021-10-27 EP claimed
WO-2020206391-A1 METHODS OF TREATING NEUROPATHIC PAIN INTRA-CELLULAR THERAPIES, INC. (US) 2020-10-08 WO claimed
WO-2020154519-A2 METHODS OF TREATING ADDICTION INTRA-CELLULAR THERAPIES, INC. (US) 2020-07-30 WO claimed
WO-2020132605-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2020-06-25 WO claimed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO claimed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO claimed
WO-2023069880-A1 NOVEL METHODS INTRA-CELLULAR THERAPIES, INC. (US) 2023-04-27 WO disclosed
US-20220184072-A1 METHODS OF TREATING NEUROPATHIC PAIN INTRA-CELLULAR THERAPIES, INC. 2022-06-16 US disclosed
US-20220048910-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2022-02-17 US disclosed
EP-3946345-A1 METHODS OF TREATING NEUROPATHIC PAIN Intra-Cellular Therapies, Inc. (US) 2022-02-09 EP disclosed
EP-3914235-A2 METHODS OF TREATING ADDICTION Intra-Cellular Therapies, Inc. (US) 2021-12-01 EP disclosed
EP-0789692-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM Novartis AG (CH) 1997-08-20 EP disclosed
WO-1997000859-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES NOVARTIS AG (CH) 1997-01-09 WO disclosed
WO-1996014305-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-05-17 WO disclosed
EP-0277794-B1 N-heterocyclic-N-(4-piperidyl) amides OHMEDA PHARMA PROD (US) 1994-04-20 EP disclosed
US-4900738-A OPIOID ANTAGONISTS; REDUCE SIDE EFFECTS BOC, INC. (US) 1990-02-13 US disclosed
US-4791112-A ANALGESICS, NAQRCOTIC ANTAGONISTS THE BOC GROUP, INC. (US) 1988-12-13 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 (2 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-20220184072-A1 METHODS OF TREATING NEUROPATHIC PAIN GAP43, OPRK1, CNR2 AHR 4251/4885LMNA 2354/4885CYP1A2 2735/4885
US-20220048910-A1 ORGANIC COMPOUNDS OPRD1, OPRM1, HTR2C AHR 606/4885LMNA 3945/4885CYP1A2 194/4885

“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.