SCHEMBL30310

SCHEMBL30310

CC1=NCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.59
NOS2 P35228 1/20 0.59
MAOA P21397 5/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
CES1 P23141 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41
KMT2A Q03164 1/20 0.41
NISCH Q9Y2I1 1/20 0.41

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
SCHEMBL29385430 1.00 NOS3 (0.59) NOS3NOS2MAOAKDM4EALDH1A1
Iodide SCHEMBL8204922 0.82 NOS3 (0.42) NOS3NOS2MAOAKDM4EALDH1A1
SCHEMBL7650854 0.80 ALDH1A1 (0.46) NOS3NOS2MAOAKDM4EALDH1A1
SCHEMBL8603671 0.79 ALDH1A1 (0.44) NOS3NOS2MAOAKDM4EALDH1A1
SCHEMBL8170948 0.77 TSHR (0.54) NOS3NOS2MAOAKDM4EALDH1A1
SCHEMBL6207612 0.76 NOS3 (0.52) NOS3NOS2MAOAKDM4EALDH1A1
SCHEMBL29498353 0.76 NOS3 (0.52) NOS3NOS2MAOAKDM4EALDH1A1
SCHEMBL1009906 0.75 MAOA (0.53) NOS3NOS2MAOAKDM4EALDH1A1
SCHEMBL2616773 0.75 MAOA (0.53) NOS3NOS2MAOAKDM4EALDH1A1
SCHEMBL29361631 0.75 KDM4E (0.60) NOS3NOS2MAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117326975-A O-allyl oxime ester photoinitiating compound, and preparation method and application thereof 同济大学 2024-01-02 CN claimed
CN-107001278-A Tetrahydro isoquinoline derivative UCB生物制药私人有限公司 2017-08-01 CN claimed
CN-106660955-A Cyclohexene derivative, preparation method therefor, and pharmaceutical composition for preventing or treating metabolic diseases, containing same as active ingredient 现代药品株式会社 2017-05-10 CN claimed
CN-102093346-B Preparation method of praziquantel ZHEJIANG GENEBEST PHARMACEUTICAL CO LTD 2012-09-05 CN claimed
CN-102093346-A Preparation method of praziquantel ZHEJIANG GENEBEST PHARMACEUTICAL CO LTD 2011-06-15 CN claimed
EP-1200410-A1 ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE SUBSTANCE Egis Gyogyszergyar Rt. (HU) 2002-05-02 EP claimed
WO-2001009101-A1 ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE SUBSTANCE EGIS Gyógyszergyár Rt. (HU) 2001-02-08 WO claimed
EP-0143333-B1 [Bis(hydroxymethyl)-methyl]-isoquinoline derivatives, process for preparing them and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1988-06-01 EP claimed
EP-0143333-A1 [Bis(hydroxymethyl)-methyl]-isoquinoline derivatives, process for preparing them and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-06-05 EP claimed
US-20250059209-A1 THERAPEUTIC AGENTS AND USES THEREOF ANKH LIFE SCIENCES LIMITED (IE) 2025-02-20 US disclosed
US-12129265-B2 Therapeutic agents and uses thereof ANKH LIFE SCIENCES LIMITED (IE) 2024-10-29 US disclosed
CN-117326975-A O-allyl oxime ester photoinitiating compound, and preparation method and application thereof 同济大学 2024-01-02 CN disclosed
EP-4263511-A1 NOVEL BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION Amphista Therapeutics Ltd (GB) 2023-10-25 EP disclosed
EP-4185288-A1 THERAPEUTIC AGENTS AND USES THEREOF Ankh Life Sciences Limited (IE) 2023-05-31 EP disclosed
US-4623647-A ANTIDEPRESSANT, ANTISECRETORY, ANALGESIC, IMMUNOSUPPESSIVE RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-11-18 US disclosed
US-4622327-A ANALGESICS, ANTIPYRETICS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-11-11 US disclosed
EP-0153994-A1 (Bis(substituted methyl)-methyl)-isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-09-11 EP disclosed
EP-0143333-A1 [Bis(hydroxymethyl)-methyl]-isoquinoline derivatives, process for preparing them and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-06-05 EP disclosed
EP-0142740-A1 N-substituted [bis(hydroxymethyl)-methyl]-isoquinoline derivatives, process for preparing them and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-05-29 EP disclosed
EP-0130729-A2 Alkylthio- and alkylsulfinyl-benzimidazole derivatives THE UPJOHN COMPANY (US) 1985-01-09 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 (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-20250059209-A1 THERAPEUTIC AGENTS AND USES THEREOF MCL1, RNASE1, HNMT NOS3 2653/4885NOS2 3574/4885MAOA 115/4885
US-12129265-B2 Therapeutic agents and uses thereof MCL1, BCL9, RNASE1 NOS3 2951/4885NOS2 3668/4885MAOA 74/4885

“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.