SCHEMBL987779

SCHEMBL987779

NCC1(c2ccc(Br)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
DPP4 P27487 1/20 0.52
SLC6A3 Q01959 13/20 0.52
SLC6A4 P31645 13/20 0.52
SLC6A2 P23975 3/20 0.48

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
SCHEMBL24509676 0.91 DPP4 (0.59) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL6208554 0.91 DPP4 (0.64) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL6209805 0.90 SLC6A3 (0.67) DPP4SLC6A3SLC6A4SLC6A2
SCHEMBL24510661 0.90 SLC6A3 (0.67) DPP4SLC6A3SLC6A4SLC6A2
SCHEMBL5737015 0.79 TAAR1 (0.39) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL24510105 0.79 SLC6A3 (0.43) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL6678 0.79 CYP2A6 (0.38) MAOAMAOBTAAR1SLC6A3SLC6A4
SCHEMBL5175812 0.77 KDM1A (0.39) MAOAMAOBTAAR1SLC6A3SLC6A4
SCHEMBL4275 0.77 ALDH1A1 (0.38) MAOAMAOBTAAR1SLC6A4SLC6A2
SCHEMBL1672926 0.77 SLC6A3 (0.81) MAOAMAOBTAAR1DPP4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114126-B1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-31 EP claimed
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-23 US claimed
US-20180251434-A1 ANTIBACTERIAL HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2018-09-06 US claimed
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-20 US claimed
EP-3114126-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd (CH) 2017-01-11 EP claimed
WO-2015132228-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-11 WO claimed
US-20260132132-A1 3A,4,5,6-TETRAHYDRO-1 H-PYRAZOLO[3,4-C]PYRIDIN-7(7AH)-ONE DERIVATIVES AS FACTOR XIIA INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2026-05-14 US disclosed
EP-4471790-B1 SYSTEM AND METHOD FOR DETERMINING MICROBIOME FROM HOST METABOLOME USING A MACHINE LEARNING MODEL MICROBIOTX HEALTH PRIVATE LTD (IN) 2026-04-01 EP disclosed
CN-120077042-A 3A,4,5, 6-tetrahydro-1H-pyrazolo [3,4-C ] pyridin-7 (7 AH) -one derivatives as factor XIIa inhibitors 卡尔维斯塔制药有限公司 2025-05-30 CN disclosed
EP-4471790-A1 SYSTEM AND METHOD FOR DETERMINING MICROBIOME FROM HOST METABOLOME USING A MACHINE LEARNING MODEL MicrobioTx Health Private Limited (IN) 2024-12-04 EP disclosed
WO-2024084217-A1 3A,4,5,6-TETRAHYDRO-1 H-PYRAZOLO[3,4-C]PYRIDIN-7(7AH)-ONE DERIVATIVES AS FACTOR XIIA INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-04-25 WO disclosed
US-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2024-03-28 US disclosed
CN-117003755-A Pyrazolopyridazinone derivatives, compositions and uses thereof 北京伯汇生物技术有限公司 2023-11-07 CN disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2011124093-A1 BICYCLIC QUINOLONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-10-13 WO disclosed
CN-102212056-A Novel bicyclo-carbostyril compounds KBP BIOSCIENCES CO LTD 2011-10-12 CN disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 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 (7 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-20260132132-A1 3A,4,5,6-TETRAHYDRO-1 H-PYRAZOLO[3,4-C]PYRIDIN-7(7AH)-ONE DERIVATIVES AS FACTOR XIIA INHIBITORS F11, F13B, F7 MAOA 298/4885MAOB 88/4885TAAR1 3795/4885
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 MAOA 1573/4885MAOB 1367/4885TAAR1 3913/4885
US-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF WDR5, WDR1, WDR77 MAOA 4653/4885MAOB 4727/4885TAAR1 4447/4885
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents CCNI, H1-0, H1-3 MAOA 1580/4885MAOB 1296/4885TAAR1 4318/4885
US-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 MAOA 3713/4885MAOB 4294/4885TAAR1 766/4885
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS CCNI, H1-0, H1-3 MAOA 1580/4885MAOB 1296/4885TAAR1 4318/4885
US-20180251434-A1 ANTIBACTERIAL HETEROCYCLIC DERIVATIVES MRPL21, DCXR, Q6ZSR9 MAOA 600/4885MAOB 444/4885TAAR1 3225/4885

“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.