SCHEMBL2338480

SCHEMBL2338480

c1ccc2c(c1)CCN2N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
USP2 O75604 1/20 0.47
CDK4 P11802 1/20 0.47
ALOX15 P16050 1/20 0.47
CCND1 P24385 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NOTUM Q6P988 2/20 0.42
TSHR P16473 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL2704963 0.98 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL16823384 0.90 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL10772899 0.88 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL3196430 0.81 HTR2C (0.45) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6764695 0.74 SIGMAR1 (0.45) ALDH1A1MEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL5872141 0.74 ALOX15 (0.46) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL27936706 0.73 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL8180438 0.73 OPRM1 (0.44) CHRM1MAPTKDM4EESR2
SCHEMBL28094982 0.73 HTR1A (0.51) ALDH1A1SIGMAR1TSHRHPGDKDM4E
SCHEMBL31218824 0.72 CHRM2 (0.39) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591327-B Indoline piperidine urea TRPV1 antagonism and MOR agonism double-target-point medicine, preparation method and application 河南大学 2023-02-07 CN claimed
CN-114591327-A Indoline piperidine urea type TRPV1 antagonistic and MOR agonistic double-target-point medicine, preparation method and application 河南大学 2022-06-07 CN claimed
US-10155985-B2 Evaluation of eosinophilic esophagitis CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2018-12-18 US disclosed
US-20170067111-A1 Evaluation of Eosinophilic Esophagitis CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-03-09 US disclosed
CN-106397116-A 1-acenaphthenol synthesis and enantiomer separation method 王际菊 2017-02-15 CN disclosed
CN-105829311-A SPIROINDOLINE ANTIPARASITIC DERIVATIVES 硕腾服务有限责任公司 2016-08-03 CN disclosed
CN-105308053-A Spiroindoline derivatives useful as gonadotropin releasing hormone receptor antagonists Bayer Pharma AG 2016-02-03 CN disclosed
US-8030003-B2 Diagnosis of eosinophilic esophagitis based on presence of an elevated level of eotaxin-3 CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2011-10-04 US disclosed
US-20110195500-A1 METHODS AND COMPOSITIONS FOR MITIGATING EOSINOPHILIC ESOPHAGITIS BY MODULATING LEVELS AND ACTIVITY OF EOTAXIN-3 CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2011-08-11 US disclosed
US-20090269774-A1 EVALUATION OF EOSINOPHILIC ESOPHAGITIS CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-10-29 US disclosed
US-20090233275-A1 EOTAXIN-3 IN EOSINOPHILIC ESOPHAGITIS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-09-17 US disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 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 (2 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-20020019531-A1 Indoles INMT, MUSK, MB ALDH1A1 3599/4885MEN1 424/4885KMT2A 1128/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 ALDH1A1 3941/4885MEN1 574/4885KMT2A 1347/4885

“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.