SCHEMBL2552838

SCHEMBL2552838

CN1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.62
KCNH2 Q12809 1/20 0.61
SLC18A3 Q16572 2/20 0.59
CPB1 P15086 1/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
MGLL Q99685 1/20 0.56
HSD11B1 P28845 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
SCHEMBL14311260 0.89 HTR2A (0.55) HTR2AKCNH2CPB1KMT2AMEN1
SCHEMBL13944389 0.87 SRD5A2 (0.57) HTR2AKCNH2CPB1KMT2AMEN1
SCHEMBL28203216 0.84 KMT2A (0.71) KCNH2KMT2AMEN1MGLLHSD11B1
SCHEMBL20206416 0.82 POLB (0.60) HTR2AKMT2AMEN1MGLLHSD11B1
SCHEMBL3391936 0.82 HSD11B1 (0.69) HTR2AMGLLHSD11B1
SCHEMBL28087584 0.82 HTR2A (0.55) HTR2AKCNH2SLC18A3CPB1KMT2A
SCHEMBL8081266 0.82 MGLL (0.60) HTR2ASLC18A3KMT2AMEN1MGLL
SCHEMBL3391998 0.82 MGLL (0.69) KMT2AMEN1MGLLHSD11B1
SCHEMBL10112201 0.82 HSD11B1 (0.60) SLC18A3KMT2AMEN1MGLLHSD11B1
SCHEMBL4040222 0.82 MEN1 (0.47) HTR2AKCNH2KMT2AMEN1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
WO-2023118319-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-06-29 WO disclosed
US-10654838-B2 Aminopyridine compounds useful as inhibitors of protein prenylation INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2020-05-19 US disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
EP-3204380-B1 NOVEL AMINOPYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN PRENYLATION INST NAT SANTE RECH MED (FR) 2019-08-07 EP disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-20170305892-A1 NOVEL AMINOPYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN PRENYLATION INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-10-26 US disclosed
US-20170305892-A1 NOVEL AMINOPYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN PRENYLATION INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-10-26 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-1784401-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-05-16 EP disclosed
US-20070066586-A1 ANILINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-03-22 US disclosed
US-20060063775-A1 Urea derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2006-03-23 US disclosed
WO-2006024160-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-03-09 WO disclosed
US-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed
US-4110459-A ANALGESIC AMERICAN HOECHST CORPORATION (US) 1978-08-29 US disclosed
US-4101663-A ANTIHYPERTENSIVES AMERICAN HOECHST CORPORATION (US) 1978-07-18 US disclosed
US-4046900-A TRANQUILIZERS, HYPOTENSIVES, ANALGESICS AMERICAN HOECHST CORPORATION (US) 1977-09-06 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 (6 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-20070066586-A1 ANILINE DERIVATIVES SERPINB1, ACE, REN HTR2A 669/4885KCNH2 120/4885SLC18A3 1616/4885
US-20060063775-A1 Urea derivatives as calcium channel blockers ORAI1, ATP2A1, CACNA1B HTR2A 944/4885KCNH2 49/4885SLC18A3 566/4885
US-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA HTR2A 238/4885KCNH2 2720/4885SLC18A3 44/4885
US-20170305892-A1 NOVEL AMINOPYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN PRENYLATION RCE1, PTAR1, CDK2AP1 HTR2A 2995/4885KCNH2 3572/4885SLC18A3 3555/4885
US-10654838-B2 Aminopyridine compounds useful as inhibitors of protein prenylation RCE1, PTAR1, CDK2AP1 HTR2A 2891/4885KCNH2 3362/4885SLC18A3 3610/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA HTR2A 238/4885KCNH2 2720/4885SLC18A3 44/4885

“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.