SCHEMBL6447320

SCHEMBL6447320

CC1(N)CCc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
KDM1A O60341 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
BACE1 P56817 1/20 0.36
EPHX2 P34913 2/20 0.35
EPHX1 P07099 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
NOTUM Q6P988 1/20 0.33
AKT1 P31749 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
Hydrochloric Acid SCHEMBL27611807 0.98 SIGMAR1 (0.42) SIGMAR1DRD2HTR2AKDM1ATRPM8
Maleic Acid SCHEMBL27593664 0.86 TRPM8 (0.42) SIGMAR1DRD2HTR2ATRPM8EPHX2
SCHEMBL23385889 0.80 SIGMAR1 (0.40) SIGMAR1DRD2HTR2AKDM1ATRPM8
SCHEMBL29736073 0.80 SIGMAR1 (0.45) SIGMAR1DRD2HTR2AKDM1ATRPM8
SCHEMBL23811463 0.80 CYP2D6 (0.39) HTR2AKDM1AMAOBMAOA
SCHEMBL546544 0.80 SIGMAR1 (0.45) SIGMAR1DRD2HTR2AKDM1ATRPM8
SCHEMBL27471149 0.79 HTR2B (0.42) SIGMAR1KDM1ABACE1KCNH2MAOB
Hydrochloric Acid SCHEMBL27471847 0.78 SIGMAR1 (0.44) SIGMAR1DRD2HTR2AKDM1ATRPM8
Ammonia Solution, Strong SCHEMBL29163352 0.78 SIGMAR1 (0.44) SIGMAR1DRD2HTR2AKDM1ATRPM8
SCHEMBL4152628 0.77 SIGMAR1 (0.43) SIGMAR1DRD2HTR2ATRPM8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100430391-C Method for producing 2-[-5-(4-fluoprophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2008-11-05 CN claimed
CN-1622944-A Method for producing 2-[-5-(4-fluoprophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2005-06-01 CN claimed
CN-100516066-C Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA NV (BE) 2009-07-22 CN disclosed
CN-100469368-C Use of adatanserin for treating neurogenerative disorders WHISCH CO (US) 2009-03-18 CN disclosed
CN-100430391-C Method for producing 2-[-5-(4-fluoprophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2008-11-05 CN disclosed
CN-1288157-C Dioxinopyridine compounds for the treatment of impaired fundic relaxation, process for their preparation and their use JANSSEN PHARMACEUTICA NV (BE) 2006-12-06 CN disclosed
CN-1781921-A Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA NV (BE) 2006-06-07 CN disclosed
CN-1249044-C Chromanone derivatives MERCK PATENT GMBH (DE) 2006-04-05 CN disclosed
CN-1622944-A Method for producing 2-[-5-(4-fluoprophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2005-06-01 CN disclosed
US-6900222-B1 Pyrrolidinyl, piperdinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-31 US disclosed
US-6747045-B2 SUCH AS 1-(3-(((3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)METHYL) AMINO)-PROPYL)TETRAHYDRO-2(1H)-PYRIMIDINONE FOR TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-08 US disclosed
CN-1390128-A Use of adatanserin for the treatment of neurodegenerative diseases WHISCH CO (US) 2003-01-08 CN disclosed
CN-1086703-C Crystalline hydrochloride of (R)-(-)2{N-4[4-(1,1-dioxido-3-oxo-2,3-dihydro-benzisothiazol-2-yl)-butyl]-aminomethyl}-chroman BAYER AG (DE) 2002-06-26 CN disclosed
CN-1353708-A Pyrrolidinyl-, piperidinyl-or homopiperidinyl-substituted (benzodioxan, benzofuran or benzopyran) derivatives JANSSEN PHARMACEUTICA NV (BE) 2002-06-12 CN disclosed
US-6331561-B2 ALZHEIMER'S AND PARKINSON DISEASE BAYER AKTIENGESELLSCHAFT (DE) 2001-12-18 US disclosed
US-20010018530-A1 Use of substituted amino-methyl-chromans for the prevention of neuronal degeneration and for the promotion of neuronal regeneration FAHRIG THOMAS (DE) 2001-08-30 US disclosed
CN-1152574-A Crystalline hydrochloride of (R)-(-)2{N-4[4-(1,1-dioxido-3-oxo-2,3-dihydro-benzisothiazol-2-yl)-butyl]-aminomethyl}-chroman BAYER AG (DE) 1997-06-25 CN disclosed
CN-1024667-C process for preparing substituted aminomethyl tetralins and substituted aminomethyl hydrogenated benzopyrans and their salts BAYER AG (DE) 1994-05-25 CN disclosed
CN-1039809-A The aminomethyl tetraline that replaces and the preparation of heterocycle homologue thereof BAYER AG (DE) 1990-02-21 CN disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP 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 (1 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-20010018530-A1 Use of substituted amino-methyl-chromans for the prevention of neuronal degeneration and for the promotion of neuronal regeneration GAP43, DCX, CHAT SIGMAR1 3367/4885DRD2 933/4885HTR2A 491/4885

“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.