SCHEMBL254676

SCHEMBL254676

Cc1cnc(C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 1/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS1 P29475 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
PDK2 Q15119 1/20 0.31

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 SCHEMBL28479775 0.95 APLNR (0.37) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL31375503 0.77 NPSR1 (0.42) ALDH1A1
SCHEMBL17979073 0.74 CCR1 (0.33) CCR1CCR5CCR8KMT2APDK2
SCHEMBL1169515 0.74 HTT (0.35) HTTALDH1A1KMT2ATRPV4
SCHEMBL7604249 0.74 APLNR (0.41) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL10600401 0.74 TRPV4 (0.32) APLNRTRPV4
SCHEMBL2616425 0.74 P2RX7 (0.32) HDAC6KMT2A
SCHEMBL20003501 0.72 TRPV4 (0.52) TRPV4
SCHEMBL17619921 0.72 TRPV4 (0.31) TRPV4
SCHEMBL876534 0.72 DEGS1 (0.34) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2025-03-20 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240224782-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-27 US disclosed
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-27 US disclosed
EP-4373814-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES Novartis AG (CH) 2024-05-29 EP disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 WO disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 WO disclosed
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 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 (8 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-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C APLNR 1274/4885CCR1 4542/4885CCR5 3147/4885
US-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES ACE2, ACE, TMPRSS2 APLNR 2857/4885CCR1 381/4885CCR5 356/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C APLNR 1312/4885CCR1 3698/4885CCR5 2214/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG APLNR 3690/4885CCR1 2029/4885CCR5 770/4885
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, SSB, L1CAM APLNR 2374/4885CCR1 744/4885CCR5 1474/4885
US-20240224782-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RER1, OCIAD2, OCIAD1 APLNR 1858/4885CCR1 523/4885CCR5 1613/4885
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, CCND2 APLNR 2913/4885CCR1 1531/4885CCR5 3430/4885
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists HRH3, HRH4, HRH1 APLNR 653/4885CCR1 1058/4885CCR5 1069/4885

“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.