SCHEMBL679618

SCHEMBL679618

CN(C(=O)NC1CCCCC1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.52
PKM P14618 2/20 0.51
ATM Q13315 1/20 0.51
EPHX1 P07099 6/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
EPHX2 P34913 1/20 0.50
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
ABCC1 P33527 1/20 0.45
ADRA2A P08913 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL7022369 0.98 CCR5 (0.50) CCR5PKMATMEPHX1RAB9A
SCHEMBL18052105 0.96 CCR5 (0.52) CCR5PKMATMEPHX1RAB9A
SCHEMBL7021364 0.96 CCR5 (0.48) CCR5PKMATMEPHX1RAB9A
SCHEMBL18629454 0.88 CCR5 (0.47) CCR5PKMATMEPHX1RAB9A
SCHEMBL7024470 0.85 NPY5R (0.49) CCR5
SCHEMBL2869853 0.81 EPHX1 (0.56) PKMEPHX1RAB9ANPC1SMN1; SMN2
SCHEMBL9451038 0.81 EPHX1 (0.56) PKMEPHX1RAB9ANPC1SMN1; SMN2
SCHEMBL11608613 0.81 EPHX1 (0.56) PKMATMEPHX1RAB9ANPC1
SCHEMBL135838 0.81 EPHX1 (0.56) PKMEPHX1RAB9ANPC1SMN1; SMN2
SCHEMBL9547549 0.79 EPHX1 (0.54) PKMEPHX1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729628-B2 Tyrosinase inhibitors CONOPCO, INC. (US) 2020-08-04 US disclosed
US-20190117590-A1 Compositions and Methods for Treating Hyperproliferative Disorders TEXAS TECH UNIVERSITY SYSTEM 2019-04-25 US disclosed
EP-2367867-B1 COMPOUNDS WITH GUANIDINE STRUCTURE AND USES THEREOF AS ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE (FR) 2018-01-03 EP disclosed
EP-1594544-B1 ORAL COMPOSITIONS OF FENRETINIDE HAVING INCREASED BIOAVAILABILITY AND METHODS OF USING THE SAME LOS ANGELES CHILDRENS HOSPITAL (US) 2016-04-06 EP disclosed
US-9050294-B2 Treatment of neural diseases or conditions ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-06-09 US disclosed
US-9050294-B2 Treatment of neural diseases or conditions ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-06-09 US disclosed
US-8871889-B2 Compounds with guanidine structure and uses thereof as organopolysiloxane polycondensation catalysts BLUESTAR SILICONES FRANCE SAS (FR) 2014-10-28 US disclosed
US-20140113973-A1 TREATMENT OF NEURAL DISEASES OR CONDITIONS ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-04-24 US disclosed
US-20140113973-A1 TREATMENT OF NEURAL DISEASES OR CONDITIONS ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-04-24 US disclosed
US-8642658-B2 Treatment of neural diseases or conditions ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2014-02-04 US disclosed
CN-1031641-C Process for preparing 8-substituted xanthine BEECHAM WUELFING GMBH & CO KG (DE) 1996-04-24 CN disclosed
EP-0369744-B1 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GMBH (DE) 1994-09-21 EP disclosed
US-5321029-A Vascular and skin disorders; bronchodilator BEECHAM-WUELFING GMBH & CO.K.G. (DE) 1994-06-14 US disclosed
US-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
CN-1047502-A The preparation method of 8-substituted xanthine BEECHAM WUELFING GMBH & CO KG (DE) 1990-12-05 CN disclosed
EP-0389282-A2 Xanthinederivatives, process for their preparation and their pharmaceutical use BEECHAM - WUELFING GmbH & Co. KG (DE) 1990-09-26 EP disclosed
EP-0369744-A2 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GmbH (DE) 1990-05-23 EP disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
US-4240954-A CYCLOHEXYL UREAS OR THIOUREAS AMERICAN CYANAMID COMPANY (US) 1980-12-23 US 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 (3 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-20190117590-A1 Compositions and Methods for Treating Hyperproliferative Disorders SGMS1, S1PR1, SPHK1 CCR5 4222/4885PKM 3045/4885ATM 4538/4885
US-10729628-B2 Tyrosinase inhibitors TYR, MC1R, TH CCR5 4868/4885PKM 2482/4885ATM 2933/4885
US-20140113973-A1 TREATMENT OF NEURAL DISEASES OR CONDITIONS RARB, RARA, RARG CCR5 3792/4885PKM 3636/4885ATM 4644/4885

“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.