SCHEMBL722215

SCHEMBL722215

O=c1oc2ccccc2cc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.55
HSD17B10 Q99714 2/20 0.49
HTR6 P50406 2/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR5A P47898 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49

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 SCHEMBL15066499 0.98 BACE1 (0.54) BACE1HSD17B10HTR6HTR3EHTR3B
Hydrochloric Acid SCHEMBL5501060 0.97 BACE1 (0.53) BACE1HSD17B10HTR6HTR3EHTR3B
SCHEMBL17144366 0.87 HSD17B10 (0.55) HSD17B10TSHRMAOAHPGDKDM4E
SCHEMBL5867498 0.86 MAOA (0.56) HSD17B10MAOAHPGDKDM4EALDH1A1
SCHEMBL15068505 0.80 ALDH1A1 (0.43) BACE1HSD17B10CYP1A2MAOAHPGD
SCHEMBL15066938 0.80 ALDH1A1 (0.43) BACE1HSD17B10CYP1A2MAOAHPGD
SCHEMBL9229724 0.80 HTR6 (0.48) BACE1HSD17B10HTR6HTR3EHTR3B
SCHEMBL15230293 0.80 LATS1 (0.45) BACE1CYP1A2HTR1ACYP2D6NCF1
SCHEMBL3237749 0.79 BCHE (0.49) BACE1HSD17B10HTR6HTR3EHTR3B
SCHEMBL27476454 0.79 HTR6 (0.47) BACE1HSD17B10HTR6HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102050809-B Chemokine-like factor 1 (CKLF1)/C chemokine receptor 4 (CCR4) interaction-antagonistic 3-peperazinyl coumarin derivatives INST MATERIA MEDICA CAMS 2014-12-17 CN claimed
CN-102050809-A Chemokine-like factor 1 (CKLF1)/C chemokine receptor 4 (CCR4) interaction-antagonistic 3-peperazinyl coumarin derivatives INST MATERIA MEDICA CAMS 2011-05-11 CN claimed
CN-114096250-B Therapies for erythropoiesis protoporphyria (EPP) and X-linked protoporphyria (XLP) 匹兹堡大学 联邦高等教育系统 2025-01-14 CN disclosed
CN-114096250-A Novel therapy for erythropoietic protoporphyrinopathy (EPP) and X-linked protoporphyrinopathy (XLP) 匹兹堡大学联邦高等教育系统 2022-02-25 CN disclosed
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
CN-102050809-B Chemokine-like factor 1 (CKLF1)/C chemokine receptor 4 (CCR4) interaction-antagonistic 3-peperazinyl coumarin derivatives INST MATERIA MEDICA CAMS 2014-12-17 CN disclosed
CN-102050809-B Chemokine-like factor 1 (CKLF1)/C chemokine receptor 4 (CCR4) interaction-antagonistic 3-peperazinyl coumarin derivatives INST MATERIA MEDICA CAMS 2014-12-17 CN disclosed
CN-102050809-B Chemokine-like factor 1 (CKLF1)/C chemokine receptor 4 (CCR4) interaction-antagonistic 3-peperazinyl coumarin derivatives INST MATERIA MEDICA CAMS 2014-12-17 CN disclosed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
US-20120052005-A1 COMBINATION THERAPY TO IMPROVE DRUG EFFICIENCY UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-01 US disclosed
CN-102050809-A Chemokine-like factor 1 (CKLF1)/C chemokine receptor 4 (CCR4) interaction-antagonistic 3-peperazinyl coumarin derivatives INST MATERIA MEDICA CAMS 2011-05-11 CN disclosed
CN-102050809-A Chemokine-like factor 1 (CKLF1)/C chemokine receptor 4 (CCR4) interaction-antagonistic 3-peperazinyl coumarin derivatives INST MATERIA MEDICA CAMS 2011-05-11 CN disclosed
CN-102050809-A Chemokine-like factor 1 (CKLF1)/C chemokine receptor 4 (CCR4) interaction-antagonistic 3-peperazinyl coumarin derivatives INST MATERIA MEDICA CAMS 2011-05-11 CN 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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 BACE1 1158/4885HSD17B10 3141/4885HTR6 3148/4885
US-20120052005-A1 COMBINATION THERAPY TO IMPROVE DRUG EFFICIENCY ABCG2, ABCB1, ABCC1 BACE1 3185/4885HSD17B10 826/4885HTR6 489/4885

“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.