SCHEMBL29937735

SCHEMBL29937735

Clc1ccnc(N2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 4/20 0.59
▸ HTR6 P50406 2/20 0.56
▸ MAOB P27338 1/20 0.56
▸ PLD1 Q13393 1/20 0.56
▸ HTR3E A5X5Y0 4/20 0.55
▸ HTR3B O95264 4/20 0.55
▸ HTR3A P46098 4/20 0.55
▸ HTR3D Q70Z44 4/20 0.55
▸ HTR3C Q8WXA8 4/20 0.55
▸ ADRB2 P07550 1/20 0.55
▸ NCF1 P14598 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.51
▸ SIGMAR1 Q99720 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL1026310 1.00 ADRB1 (0.59) ADRB1HTR6MAOBPLD1HTR3E
Hydrochloric Acid SCHEMBL3185751 0.98 HTR6 (0.59) ADRB1HTR6MAOBPLD1HTR3E
Hydrochloric Acid SCHEMBL31061057 0.98 HTR6 (0.59) ADRB1HTR6MAOBPLD1HTR3E
SCHEMBL24615261 0.83 HRH4 (0.47) ADRB1HTR6MAOBCYP1A2HTR7
SCHEMBL29157425 0.82 DYRK1A (0.61) ADRB1DYRK1ANMT1
SCHEMBL19027125 0.81 HRH4 (0.54) TP53CYP1A2HTR7HTTALDH1A1
SCHEMBL19288501 0.79 ADRB1 (0.59) ADRB1HTR6MAOBPLD1ADRB2
SCHEMBL22581914 0.79 ADRB1 (0.64) ADRB1HTR6MAOBPLD1ADRB2
SCHEMBL3848354 0.79 ADRB1 (0.59) ADRB1HTR6MAOBPLD1ADRB2
SCHEMBL1026043 0.79 ADRB1 (0.59) ADRB1PLD1NCF1HRH3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220331297-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2022-10-20 — — US 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 (1 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-20220331297-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 ADRB1 4045/4885HTR6 2009/4885MAOB 4198/4885

“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.

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