SCHEMBL40343

SCHEMBL40343

Oc1ccc(N2CCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.63
HTR3E A5X5Y0 3/20 0.63
HTR3B O95264 3/20 0.63
HTR3A P46098 3/20 0.63
HTR3D Q70Z44 3/20 0.63
HTR3C Q8WXA8 3/20 0.63
SIGMAR1 Q99720 3/20 0.63
ADRB2 P07550 1/20 0.57
NCF1 P14598 1/20 0.57
PLD1 Q13393 1/20 0.57
FGFR1 P11362 1/20 0.55
FGFR2 P21802 1/20 0.55
PIM1 P11309 1/20 0.55
PIM3 Q86V86 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
ALDH1A1 P00352 3/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 2/20 0.54

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
SCHEMBL6094312 1.00 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL8976702 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL3142642 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL6774826 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL24028031 0.92 CHRNB2 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL30307833 0.90 CHRNB2 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14465246 0.89 LTA4H (0.72) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5570604 0.88 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL18553773 0.86 HTR6 (0.73) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7991421 0.84 PIM1 (0.48) 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 1119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118022687-A Detection and removal of Hg2+/Hg+Ion adsorbent and preparation method thereof 萍乡学院 2024-05-14 CN claimed
CN-116041300-B 2, 2-Dimethyl benzopyran derivative and preparation method and application thereof 沈阳药科大学 2024-04-26 CN claimed
CN-112111263-B Preparation method of high-temperature-resistant clean fracturing fluid 中国石油大学(华东) 2023-03-28 CN claimed
CN-114367173-A Liquid sponge desulfurizer 北京荣华康都环境技术有限公司 2022-04-19 CN claimed
CN-114367169-A Flue gas renewable desulfurization device and method 北京荣华康都环境技术有限公司 2022-04-19 CN claimed
CN-114276315-A Preparation method of 4- [4- [4- (4-hydroxyphenyl) piperazine-1-yl ] phenyl carbamate 苏州汉德创宏生化科技有限公司 2022-04-05 CN claimed
US-20220024957-A1 ANTICANCER ACTIVITIES OF A NOVEL FAMILY OF ETHACRYNIC ACID DERIVATIVES UNIVERSITE EUROMEDITERRANEENNE DE FES (MA) 2022-01-27 US claimed
EP-3887380-A1 ANTI-CANCER ACTIVITIES OF A NEW FAMILY OF ETHACRYNIC ACID DERIVATIVES Universite Euromediterraneenne De Fes (MA) 2021-10-06 EP claimed
CN-110776897-B Surfactant for low-permeability reservoir development and preparation method thereof 中国海洋石油集团有限公司 2021-09-14 CN claimed
CN-112111263-A Preparation method of high-temperature-resistant clean fracturing fluid 中国石油大学(华东) 2020-12-22 CN claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
CN-1257163-C Method for synthesizing 1-acetyl-4-(4-hydroxy pheny) piperazine INST RADIATION MED AMMS PLA (CN) 2006-05-24 CN claimed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US claimed
CN-1616440-A Method for synthesizing 1-acetyl-4-(4-hydroxy pheny) piperazine INST RADIATION MED AMMS PLA (CN) 2005-05-18 CN claimed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US claimed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO claimed
EP-0229467-A1 1,5-Benzoxathiepin derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP claimed
EP-0150036-A1 Azolyl-aryl-alkanole-derivatives, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-31 EP claimed

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-20220024957-A1 ANTICANCER ACTIVITIES OF A NOVEL FAMILY OF ETHACRYNIC ACID DERIVATIVES ENDOD1, RPL15, COX15 ADRB1 4459/4885HTR3E 635/4885HTR3B 1736/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 ADRB1 3415/4885HTR3E 1875/4885HTR3B 3144/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K ADRB1 3656/4885HTR3E 3320/4885HTR3B 2852/4885

“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.