SCHEMBL17455228

SCHEMBL17455228

COCOc1ccc(N2CCNCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.67
HTR3E A5X5Y0 3/20 0.67
HTR3B O95264 3/20 0.67
HTR3A P46098 3/20 0.67
HTR3D Q70Z44 3/20 0.67
HTR3C Q8WXA8 3/20 0.67
SIGMAR1 Q99720 3/20 0.67
LTA4H P09960 4/20 0.54
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
TGFBR1 P36897 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CACNA2D1 P54289 1/20 0.45
CACNA2D2 Q9NY47 1/20 0.45

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
SCHEMBL872363 0.85 ADRB1 (0.65) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL23355832 0.84 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL22638136 0.84 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2155052 0.83 ADRB1 (0.66) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6132814 0.83 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14922261 0.81 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL27331131 0.81 ADRB1 (0.64) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4324884 0.81 ADRB1 (0.64) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2410870 0.80 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL234280 0.80 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207928-B1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4-(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES HYUNDAI PHARM CO LTD (KR) 2021-03-10 EP disclosed
US-10821110-B2 Composite preparation, containing novel 3-(4--(benzyloxy)phenyl)hex-4-inoic acid derivative and another active ingredient, for preventing or treating metabolic diseases HYUNDAI PHARM CO., LTD. (KR) 2020-11-03 US disclosed
CN-106715409-B Complex preparation for preventing or treating metabolic diseases comprising 3- (4- (benzyloxy) phenyl) -4-hexynoic acid derivative and other active ingredients 现代药品株式会社 2020-09-11 CN disclosed
CN-111423408-A Compound preparation for preventing or treating metabolic diseases 现代药品株式会社 2020-07-17 CN disclosed
EP-2987791-B1 3-(4-(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, SUITABLE FOR PREVENTING AND TREATING METABOLIC DISEASES HYUNDAI PHARM CO LTD (KR) 2019-07-17 EP disclosed
US-9969723-B2 3-(4-(benzyloxy)phenyl)hex-4-ynoic acid derivative, method of preparing same and pharmaceutical composition for preventing and treating metabolic disease including same as effective ingredient HYUNDAI PHARM CO., LTD (KR) 2018-05-15 US disclosed
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES HYUNDAI PHARM CO., LTD. (KR) 2017-10-19 US disclosed
EP-3207928-A2 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4-(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES Hyundai Pharm Co., Ltd. (KR) 2017-08-23 EP disclosed
CN-105121423-B 3- (4- (benzyloxy) phenyl) hex-4-ynoic acid derivative, method for preparing the same, and pharmaceutical composition for preventing and treating metabolic diseases comprising the same as an effective ingredient 现代药品株式会社 2017-06-09 CN disclosed
CN-106715409-A Complex preparation for preventing or treating metabolic diseases comprising novel 3- (4- (benzyloxy) phenyl) -4-hexenoic acid derivative and other active ingredients 现代药品株式会社 2017-05-24 CN disclosed
EP-2987791-A1 NOVEL 3-(4-(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, METHOD OF PREPARING SAME AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC DISEASE INCLUDING SAME AS EFFECTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2016-02-24 EP disclosed
US-20160024063-A1 NOVEL 3-(4(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, METHOD OF PREPARING SAME AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC DISEASE INCLUDING SAME AS EFFECTIVE INGREDIENT HYUNDAI PHARM CO., LTD (KR) 2016-01-28 US disclosed
CN-105121423-A Novel 3- (4- (benzyloxy) phenyl) hex-4-ynoic acid derivative, method for preparing the same, and pharmaceutical composition for preventing and treating metabolic diseases comprising the same as an effective ingredient HYUNDAI PHARM CO LTD 2015-12-02 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 (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-20160024063-A1 NOVEL 3-(4(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, METHOD OF PREPARING SAME AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC DISEASE INCLUDING SAME AS EFFECTIVE INGREDIENT GPR119, INSR, IRS1 ADRB1 190/4885HTR3E 1970/4885HTR3B 2167/4885
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES SLC5A2, SLC5A1, DPP4 ADRB1 2069/4885HTR3E 996/4885HTR3B 1096/4885
US-10821110-B2 Composite preparation, containing novel 3-(4--(benzyloxy)phenyl)hex-4-inoic acid derivative and another active ingredient, for preventing or treating metabolic diseases SLC5A2, SLC5A1, DPP4 ADRB1 2069/4885HTR3E 996/4885HTR3B 1096/4885

“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.