SCHEMBL4223377

SCHEMBL4223377

NCC1CCOc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
KCNH2 Q12809 2/20 0.41
HTR2A P28223 5/20 0.40
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
LMNA P02545 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
HTR2C P28335 2/20 0.36
RET P07949 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL29960467 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALKCNH2HTR2A
Hydrochloric Acid SCHEMBL29960808 0.98 KCNH2 (0.40) ITGB2ICAM1ITGALKCNH2HTR2A
SCHEMBL29960304 0.89 ITGB2 (0.39) ITGB2ICAM1ITGALHTR2ACYP2D6
Hydrochloric Acid SCHEMBL29960590 0.88 ITGB2 (0.38) ITGB2ICAM1ITGALHTR2ACYP2D6
SCHEMBL29960536 0.86 KCNH2 (0.44) ITGB2ICAM1ITGALKCNH2HTR2A
Hydrochloric Acid SCHEMBL29960253 0.84 KCNH2 (0.44) ITGB2ICAM1ITGALKCNH2HTR2A
SCHEMBL805497 0.81 KCNH2 (0.43) ITGB2ICAM1ITGALKCNH2HTR2A
SCHEMBL22143980 0.81 KCNH2 (0.43) ITGB2ICAM1ITGALKCNH2HTR2A
SCHEMBL19141630 0.81 ITGB2 (0.41) ITGB2ICAM1ITGALKCNH2HTR2A
SCHEMBL3585379 0.81 ITGB2 (0.41) ITGB2ICAM1ITGALKCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
EP-4263493-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi (FR) 2023-10-25 EP disclosed
CN-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed
US-20230286917-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2023-09-14 US disclosed
US-11639333-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC (US) 2023-05-02 US disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
WO-2022133027-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-06-23 WO disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-11214542-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2022-01-04 US disclosed
US-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-01-01 US disclosed
EP-1863784-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2007-12-12 EP disclosed
WO-2006102958-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-10-05 WO disclosed
EP-0540914-B1 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system BAYER AG (DE) 1999-06-02 EP disclosed
EP-0157267-B1 SUBSTITUTED BENZOPYRANS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1988-11-23 EP disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US 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
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0157267-A2 Substituted benzopyrans, process for their preparation and their use in medicines BAYER AG (DE) 1985-10-09 EP disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 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 (7 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-11214542-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A ITGB2 4511/4885ICAM1 4505/4885ITGAL 4316/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB ITGB2 615/4885ICAM1 3314/4885ITGAL 1035/4885
US-20230286917-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A ITGB2 4511/4885ICAM1 4505/4885ITGAL 4316/4885
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 ITGB2 3876/4885ICAM1 3742/4885ITGAL 2718/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ITGB2 968/4885ICAM1 3978/4885ITGAL 1510/4885
US-11639333-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A ITGB2 4511/4885ICAM1 4505/4885ITGAL 4316/4885
US-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives MAOB, MAOA, AOC3 ITGB2 1633/4885ICAM1 3925/4885ITGAL 2114/4885

“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.