SCHEMBL325929

SCHEMBL325929

OCC1=CCN(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
FUCA1 P04066 2/20 0.43
MC4R P32245 1/20 0.42
DRD4 P21917 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GBA1 P04062 1/20 0.41
OPRL1 P41146 1/20 0.40
TSHR P16473 1/20 0.40
PHGDH O43175 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL5870967 0.83 SIGMAR1 (0.50) SIGMAR1FUCA1MC4RDRD4LMNA
SCHEMBL325460 0.83 SIGMAR1 (0.50) SIGMAR1MC4RDRD4
SCHEMBL19087069 0.82 SIGMAR1 (0.48) SIGMAR1FUCA1MC4RDRD4LMNA
SCHEMBL10296078 0.82 SIGMAR1 (0.48) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1233809 0.79 SIGMAR1 (0.46) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL21254439 0.76 DRD2 (0.43) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL6621542 0.74 SIGMAR1 (0.52) SIGMAR1FUCA1MC4RDRD4LMNA
SCHEMBL1588025 0.73 SIGMAR1 (0.47) SIGMAR1MC4RDRD4
SCHEMBL3219686 0.71 LMNA (0.40) SIGMAR1DRD4LMNAPOLBTSHR
Hydrochloric Acid SCHEMBL10354317 0.71 DRD2 (0.49) SIGMAR1DRD4LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2020-10-20 US disclosed
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2020-10-20 US disclosed
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2019-07-18 US disclosed
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2019-07-18 US disclosed
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US disclosed
EP-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
CN-103097364-A Spiro-piperidine derivatives as S1P modulators ABBOTT HEALTHCARE PRODUCTS BV 2013-05-08 CN disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-5783708-A HEXAHYDROISOINDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
US-5703094-A Quinolone- and naphthyridonecarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
EP-0721948-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1997-12-03 EP disclosed
EP-0721948-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-07-17 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885FUCA1 3933/4885MC4R 706/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 SIGMAR1 152/4885FUCA1 3190/4885MC4R 1138/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 140/4885FUCA1 3806/4885MC4R 717/4885
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 SIGMAR1 1459/4885FUCA1 4583/4885MC4R 4138/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885FUCA1 3933/4885MC4R 706/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 SIGMAR1 152/4885FUCA1 3190/4885MC4R 1138/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885FUCA1 3933/4885MC4R 706/4885

“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.