SCHEMBL2003226

SCHEMBL2003226

c1ccc2c(c1)CCCCC[N]2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NOS3 P29474 2/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ACHE P22303 5/20 0.40
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL8326 0.98 TSHR (0.52) TSHRNOS3NOS1NOS2ACHE
SCHEMBL5604 0.91 TSHR (0.48) TSHRNOS3NOS1NOS2ACHE
Bromide SCHEMBL11831501 0.89 TSHR (0.46) TSHRNOS3NOS1NOS2ACHE
SCHEMBL27008 0.81
SCHEMBL24141454 0.79 TSHR (0.46) TSHRNOS3NOS1NOS2ACHE
Cyclohexane SCHEMBL10948412 0.72 TSHR (0.93) TSHRCYP2A6MAOAMAOBMAPT
SCHEMBL16393911 0.72 TSHR (0.93) TSHRCYP2A6MAOAMAOBMAPT
SCHEMBL380703 0.72 TSHR (0.93) TSHRCYP2A6MAOAMAOBMAPT
SCHEMBL6290793 0.72 TSHR (0.93) TSHRCYP2A6MAOAMAOBMAPT
SCHEMBL19426881 0.72 TSHR (0.93) TSHRCYP2A6MAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888349-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2002-05-22 EP claimed
US-6140317-A AS INHIBITORS OF PROTEIN KINASES AND HAVE ANTITUMOUR ACTIVITY NOVARTIS AG (CH) 2000-10-31 US claimed
EP-0552489-B1 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-03-04 EP claimed
US-5614497-A TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISEASE AND RENAL DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-25 US claimed
EP-0552489-A2 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed
EP-3260118-B1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION UNIV JOHNS HOPKINS (US) 2021-03-24 EP disclosed
EP-3610890-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA The Johns Hopkins University (US) 2020-02-19 EP disclosed
US-10154988-B2 Methods and compositions for treating schizophrenia THE JOHNS HOPKINS UNIVERSITY (US) 2018-12-18 US disclosed
EP-3400934-A1 LEVETIRACETAM FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2018-11-14 EP disclosed
EP-2147922-B1 FUSED HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE DERIVATIVE, AND USE OF THE COMPOSITION FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2017-08-02 EP disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-20150313876-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA THE JOHNS HOPKINS UNIVERSITY 2015-11-05 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0560235-A1 Condensed heterocyclic ketone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-09-15 EP disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed
EP-0552489-A2 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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 (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-20150313876-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA RAB2A, SYNGR2, GRIN2A TSHR 3206/4885NOS3 4296/4885NOS1 4362/4885
US-10154988-B2 Methods and compositions for treating schizophrenia RAB2A, SYNGR2, GRIN2A TSHR 3206/4885NOS3 4296/4885NOS1 4362/4885

“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.