SCHEMBL16736488

SCHEMBL16736488

O=C(c1ccccc1)N1CC=Cc2c1ccc1ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RCE1 Q9Y256 1/20 0.36
▸ PSEN1 P49768 1/20 0.36

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
SCHEMBL8705933 0.73 P2RX4 (0.57) P2RX4ALDH1A1HPGDRAB9ACYP1A2
SCHEMBL25419666 0.71 ALDH1A1 (0.36) P2RX4ALDH1A1HPGDRAB9ACYP1A2
SCHEMBL15413770 0.71 P2RX4 (0.40) P2RX4ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL23178104 0.69 P2RX4 (0.40) P2RX4ALDH1A1HPGDRAB9ACYP1A2
SCHEMBL31587978 0.68 P2RX4 (0.38) P2RX4ALDH1A1HPGDCYP1A2MAPT
SCHEMBL3859175 0.68 LMNA (0.58) P2RX4ALDH1A1RAB9ACYP2C19CYP3A4
SCHEMBL275516 0.66 SLC6A4 (0.40) P2RX4ALDH1A1MAPTKDM4EGLA
SCHEMBL23496994 0.64 P2RX4 (0.45) P2RX4ALDH1A1HPGDRAB9ANPC1
SCHEMBL16486276 0.63 KDM4E (0.46) ALDH1A1HPGDRAB9ACYP1A2CYP2C19
SCHEMBL12776605 0.61 P2RX4 (0.49) P2RX4ALDH1A1HPGDRAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933169-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto EMORY UNIVERSITY (US) 2021-03-02 — — US disclosed
US-10434220-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto EMORY UNIVERSITY (US) 2019-10-08 — — US disclosed
US-20160089478-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO UNIV EMORY (US) 2016-03-31 — — US disclosed
US-20150148292-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO UNIV EMORY (US) 2015-05-28 — — 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 (4 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-20150148292-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO BMP4, BMP2, BMP1 P2RX4 3107/4885ALDH1A1 3881/4885HPGD 2253/4885
US-10434220-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto BMP2, BMP4, BMP1 P2RX4 2974/4885ALDH1A1 1840/4885HPGD 2378/4885
US-10933169-B2 Bone morphogenetic protein pathway activation, compositions for ossification, and methods related thereto BMP2, BMP4, BMP1 P2RX4 2974/4885ALDH1A1 1840/4885HPGD 2378/4885
US-20160089478-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO BMP2, BMP4, BMP1 P2RX4 2974/4885ALDH1A1 1840/4885HPGD 2378/4885

“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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