SCHEMBL1361317

SCHEMBL1361317

O=C1CCN(c2ccccc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TSHR P16473 3/20 0.53
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 3/20 0.51
ALOX15 P16050 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.47
GLA P06280 1/20 0.47
USP2 O75604 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL10408077 0.89 KMT2A (0.53) ALDH1A1SMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL14768684 0.80 KDM4E (0.51) ALDH1A1SMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL23161511 0.79 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL3042980 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL7490418 0.78 SLC2A1 (0.44) ALDH1A1SMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL14485349 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL1239113 0.77 KEAP1 (0.57) ALDH1A1SMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL30851436 0.77 KEAP1 (0.57) ALDH1A1SMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL6005480 0.77 KEAP1 (0.57) ALDH1A1SMN1; SMN2TSHRHSD17B10KMT2A
SCHEMBL1361268 0.76 ADRB1 (0.58) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
EP-2536697-B1 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES DAE WOONG PHARMA (KR) 2016-10-19 EP disclosed
US-8940768-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-01-27 US disclosed
CN-101798302-B Method and technology for synthesizing and producing antibiotic medicament namely 1-(o-fluorophenyl) dihydropyridone MICURX SHANGHAI PHARMACEUTICAL INC 2014-11-05 CN disclosed
EP-2536697-A2 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES Daewoong Pharmaceutical Co., Ltd (KR) 2012-12-26 EP disclosed
US-20120309771-A1 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2012-12-06 US disclosed
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
EP-2435426-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2012-04-04 EP disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
WO-2011099804-A2 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-08-18 WO disclosed
WO-2010138487-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2010-12-02 WO disclosed
CN-101798302-A Method and technology for synthesizing and producing antibiotic medicament namely 1-(o-fluorophenyl) dihydropyridone MICURX SHANGHAI PHARMACEUTICAL INC 2010-08-11 CN disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
US-7304076-B2 Neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-04 US disclosed
US-7304076-B2 Neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-04 US disclosed
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 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 (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-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 ALDH1A1 1292/4885SMN1; SMN2 3742/4885TSHR 864/4885
US-20120309771-A1 NOVEL ANTIFUNGAL TRIAZOLE DERIVATIVES ERG28, CYP51A1, DPM1 ALDH1A1 2469/4885SMN1; SMN2 4216/4885TSHR 4253/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 ALDH1A1 1292/4885SMN1; SMN2 3742/4885TSHR 864/4885

“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.