SCHEMBL21047690

SCHEMBL21047690

O=C1CCN(c2nccc3ccccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.57
HTR2C P28335 1/20 0.57
SORD Q00796 2/20 0.48
COMT P21964 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1B P28222 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
LMNA P02545 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40

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
SCHEMBL21047602 0.91 HRH4 (0.55) HRH4HTR2CSORDCOMTHCAR2
SCHEMBL21047635 0.91 HRH4 (0.65) HRH4HTR2CSORDCOMTHCAR2
SCHEMBL17847543 0.79 HTR2C (0.67) HRH4HTR2CSORDCOMTHCAR2
SCHEMBL29003692 0.77 HRH4 (0.73) HRH4HTR2CSORDHCAR2LMNA
SCHEMBL30275021 0.77 HRH4 (0.73) HRH4HTR2CSORDHCAR2LMNA
SCHEMBL4766806 0.76 HRH4 (0.71) HRH4HTR2CSORDHCAR2LMNA
SCHEMBL21047580 0.74 HTR1A (0.53) HTR1AHTR1BLMNA
SCHEMBL2202162 0.74 HRH4 (0.69) HRH4HTR2CSORDCOMTHCAR2
SCHEMBL27643484 0.74 HRH4 (0.69) HRH4HTR2CSORDHCAR2LMNA
SCHEMBL2076366 0.73 HTR2C (1.00) HRH4HTR2CSORDHTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
CN-109563016-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 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 (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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS HRH4 507/4885HTR2C 3042/4885SORD 593/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS HRH4 507/4885HTR2C 3042/4885SORD 593/4885

“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.