SCHEMBL508627

SCHEMBL508627

NCCN1CCC(F)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
PRMT1 Q99873 2/20 0.46
PRMT8 Q9NR22 2/20 0.46
PRMT3 O60678 1/20 0.46
GNAI3 P08754 3/20 0.40
GNAO1 P09471 3/20 0.40
GNAI1 P63096 3/20 0.40
KEAP1 Q14145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACE2 Q9BYF1 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
CHRM3 P20309 1/20 0.34
NCF1 P14598 1/20 0.32

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
SCHEMBL2446230 0.85
SCHEMBL2439975 0.85
SCHEMBL4030838 0.85 KEAP1 (0.58) ALOX15GNAI3GNAO1GNAI1KEAP1
SCHEMBL6333888 0.85
SCHEMBL3973508 0.84 ALOX15 (0.60) ALOX15CARM1PRMT6PRMT1PRMT8
Hydrochloric Acid SCHEMBL18226298 0.83 ALOX15 (0.46) ALOX15CARM1PRMT6PRMT1PRMT8
Hydrochloric Acid SCHEMBL29056645 0.83 KEAP1 (0.56) ALOX15GNAI3GNAO1GNAI1KEAP1
SCHEMBL4035833 0.83 KEAP1 (0.50) ALOX15GNAI3GNAO1GNAI1KEAP1
Hydrochloric Acid SCHEMBL18226299 0.83 ALOX15 (0.46) ALOX15CARM1PRMT6PRMT1PRMT8
Hydrochloric Acid SCHEMBL18226702 0.83 ALOX15 (0.46) ALOX15CARM1PRMT6PRMT1PRMT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US claimed
EP-2376488-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-10-19 EP claimed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US claimed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 WO claimed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US claimed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US claimed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 US disclosed
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 US disclosed
US-10766865-B2 PKM2 modulators and methods for their use SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-09-08 US disclosed
US-10766865-B2 PKM2 modulators and methods for their use SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-09-08 US disclosed
US-20200109120-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2020-04-09 US disclosed
US-6777425-B2 WHICH BINDS NUCLEIC ACIDS/DNA; GENE EXPRESSION; GENETIC ENGINEERING GENESOFT PHARMACEUTICALS, INC. 2004-08-17 US disclosed
EP-1401817-A1 ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY Genesoft Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
US-20030083268-A1 Isoquinoline compounds having antiinfective activity GENESOFT, INC. (US) 2003-05-01 US disclosed
WO-2002100832-A1 ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 WO 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 (9 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 ALOX15 441/4885CARM1 913/4885PRMT6 1025/4885
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR ALOX15 1504/4885CARM1 4475/4885PRMT6 4409/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 ALOX15 1052/4885CARM1 1892/4885PRMT6 211/4885
US-10766865-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM ALOX15 4576/4885CARM1 224/4885PRMT6 162/4885
US-20030083268-A1 Isoquinoline compounds having antiinfective activity POLQ, TOP2A, TOP1 ALOX15 3510/4885CARM1 648/4885PRMT6 971/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 ALOX15 2829/4885CARM1 1026/4885PRMT6 527/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 ALOX15 441/4885CARM1 913/4885PRMT6 1025/4885
US-20200109120-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM ALOX15 4576/4885CARM1 224/4885PRMT6 162/4885
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM ALOX15 4576/4885CARM1 224/4885PRMT6 162/4885

“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.